           1           1           1
 PAR/INVERTIN                                                                              12
          15 Ca_1Al_2Si_2O_8
 Element found          20 Ca   40.077999114990234                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    2.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    8.0000000000000000     
fn,wm=     13.00000   278.20728
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  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  8  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          15 Na_1Al_1Si_3O_8
 Element found          11 Na   22.989768981933594                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    3.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    8.0000000000000000     
fn,wm=     13.00000   262.22301
  0  0  0  0  0  0  0  8  0  0  1  0  1  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  8  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          24 (Mg_3Al_1)(Al_7Mg_1)O_16
 Element found          12 Mg   24.305000305175781                1
 stoich =    3.0000000000000000     
 Element found          13 Al   26.981538772583008                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    7.0000000000000000     
 Element found          12 Mg   24.305000305175781                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    16.000000000000000     
fn,wm=     28.00000   569.06271
  0  0  0  0  0  0  0 16  0  0  0  4  8  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  3  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  1  7  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0 16  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          24 (Fe_3Al_1)(Al_7Fe_1)O_16
 Element found          26 Fe   55.845001220703125                1
 stoich =    3.0000000000000000     
 Element found          13 Al   26.981538772583008                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    7.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    16.000000000000000     
fn,wm=     28.00000   695.22272
  0  0  0  0  0  0  0 16  0  0  0  0  8  0  0  0  0  0  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  7  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0 16  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          11 Mg_2Si_1O_4
 Element found          12 Mg   24.305000305175781                1
 stoich =    2.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    4.0000000000000000     
fn,wm=      7.00000   140.69310
  0  0  0  0  0  0  0  4  0  0  0  2  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          11 Fe_2Si_1O_4
 Element found          26 Fe   55.845001220703125                1
 stoich =    2.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    4.0000000000000000     
fn,wm=      7.00000   203.77310
  0  0  0  0  0  0  0  4  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          11 Mg_2Si_1O_4
 Element found          12 Mg   24.305000305175781                1
 stoich =    2.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    4.0000000000000000     
fn,wm=      7.00000   140.69310
  0  0  0  0  0  0  0  4  0  0  0  2  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          11 Fe_2Si_1O_4
 Element found          26 Fe   55.845001220703125                1
 stoich =    2.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    4.0000000000000000     
fn,wm=      7.00000   203.77310
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  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          11 Mg_2Si_1O_4
 Element found          12 Mg   24.305000305175781                1
 stoich =    2.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    4.0000000000000000     
fn,wm=      7.00000   140.69310
  0  0  0  0  0  0  0  4  0  0  0  2  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          11 Fe_2Si_1O_4
 Element found          26 Fe   55.845001220703125                1
 stoich =    2.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    4.0000000000000000     
fn,wm=      7.00000   203.77310
  0  0  0  0  0  0  0  4  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          15 Mg_1Mg_1Si_2O_6
 Element found          12 Mg   24.305000305175781                1
 stoich =    1.0000000000000000     
 Element found          12 Mg   24.305000305175781                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    6.0000000000000000     
fn,wm=     10.00000   200.77740
  0  0  0  0  0  0  0  6  0  0  0  2  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  6  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          15 Fe_1Fe_1Si_2O_6
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    6.0000000000000000     
fn,wm=     10.00000   263.85740
  0  0  0  0  0  0  0  6  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
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          19 Mg_1Al_1Si_1O_6Al_1
 Element found          12 Mg   24.305000305175781                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    6.0000000000000000     
 Element found          13 Al   26.981538772583008                5
 stoich =    1.0000000000000000     
fn,wm=     10.00000   202.34998
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  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  6  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
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          15 Ca_1Mg_1Si_2O_6
 Element found          20 Ca   40.077999114990234                1
 stoich =    1.0000000000000000     
 Element found          12 Mg   24.305000305175781                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    6.0000000000000000     
fn,wm=     10.00000   216.55040
  0  0  0  0  0  0  0  6  0  0  0  1  0  2  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  6  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          15 Ca_1Mg_1Si_2O_6
 Element found          20 Ca   40.077999114990234                1
 stoich =    1.0000000000000000     
 Element found          12 Mg   24.305000305175781                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    6.0000000000000000     
fn,wm=     10.00000   216.55040
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  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
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          15 Ca_1Fe_1Si_2O_6
 Element found          20 Ca   40.077999114990234                1
 stoich =    1.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    6.0000000000000000     
fn,wm=     10.00000   248.09040
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  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
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          15 Mg_1Mg_1Si_2O_6
 Element found          12 Mg   24.305000305175781                1
 stoich =    1.0000000000000000     
 Element found          12 Mg   24.305000305175781                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    6.0000000000000000     
fn,wm=     10.00000   200.77740
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  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
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          21 Ca_1Al_1(Si_1Al_1)O_6
 Element found          20 Ca   40.077999114990234                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                3
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    6.0000000000000000     
fn,wm=     10.00000   218.12298
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          15 Na_1Al_1Si_2O_6
 Element found          11 Na   22.989768981933594                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    6.0000000000000000     
fn,wm=     10.00000   202.13871
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  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
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          11 Mg_2Si_2O_6
 Element found          12 Mg   24.305000305175781                1
 stoich =    2.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    6.0000000000000000     
fn,wm=     10.00000   200.77740
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  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  6  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          11 Fe_2Si_2O_6
 Element found          26 Fe   55.845001220703125                1
 stoich =    2.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    6.0000000000000000     
fn,wm=     10.00000   263.85740
  0  0  0  0  0  0  0  6  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
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          11 Ca_1Si_1O_3
 Element found          20 Ca   40.077999114990234                1
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   116.16170
  0  0  0  0  0  0  0  3  0  0  0  0  0  1  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
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          11 Mg_1Si_1O_3
 Element found          12 Mg   24.305000305175781                1
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   100.38870
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  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          11 Fe_1Si_1O_3
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   131.92870
  0  0  0  0  0  0  0  3  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          11 Al_1Al_1O_3
 Element found          13 Al   26.981538772583008                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   101.96128
  0  0  0  0  0  0  0  3  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
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          11 Fe_1Fe_1O_3
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   159.68820
  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          20 Mg_3Al_1Al_1Si_3O_12
 Element found          12 Mg   24.305000305175781                1
 stoich =    3.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                3
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                4
 stoich =    3.0000000000000000     
 Element found           8 O    15.999400138854980                5
 stoich =    12.000000000000000     
fn,wm=     20.00000   403.12738
  0  0  0  0  0  0  0 12  0  0  0  3  2  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0 12  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          20 Fe_3Al_1Al_1Si_3O_12
 Element found          26 Fe   55.845001220703125                1
 stoich =    3.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                3
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                4
 stoich =    3.0000000000000000     
 Element found           8 O    15.999400138854980                5
 stoich =    12.000000000000000     
fn,wm=     20.00000   497.74739
  0  0  0  0  0  0  0 12  0  0  0  0  2  3  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0 12  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          20 Ca_3Al_1Al_1Si_3O_12
 Element found          20 Ca   40.077999114990234                1
 stoich =    3.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                3
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                4
 stoich =    3.0000000000000000     
 Element found           8 O    15.999400138854980                5
 stoich =    12.000000000000000     
fn,wm=     20.00000   450.44638
  0  0  0  0  0  0  0 12  0  0  0  0  2  3  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0 12  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          20 Mg_3Mg_1Si_1Si_3O_12
 Element found          12 Mg   24.305000305175781                1
 stoich =    3.0000000000000000     
 Element found          12 Mg   24.305000305175781                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                4
 stoich =    3.0000000000000000     
 Element found           8 O    15.999400138854980                5
 stoich =    12.000000000000000     
fn,wm=     20.00000   401.55481
  0  0  0  0  0  0  0 12  0  0  0  4  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0 12  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          26 (Na_2Mg_1)Si_1Si_1Si_3O_12
 Element found          11 Na   22.989768981933594                1
 stoich =    2.0000000000000000     
 Element found          12 Mg   24.305000305175781                1
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                4
 stoich =    3.0000000000000000     
 Element found           8 O    15.999400138854980                5
 stoich =    12.000000000000000     
fn,wm=     20.00000   402.70484
  0  0  0  0  0  0  0 12  0  0  2  1  0  5  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  2  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
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  0  0  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0 12  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
           7 Si_1O_2
 Element found          14 Si   28.085500717163086                1
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                2
 stoich =    2.0000000000000000     
fn,wm=      3.00000    60.08430
  0  0  0  0  0  0  0  2  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
           7 Si_1O_2
 Element found          14 Si   28.085500717163086                1
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                2
 stoich =    2.0000000000000000     
fn,wm=      3.00000    60.08430
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  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
           7 Si_1O_2
 Element found          14 Si   28.085500717163086                1
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                2
 stoich =    2.0000000000000000     
fn,wm=      3.00000    60.08430
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  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
           7 Si_1O_2
 Element found          14 Si   28.085500717163086                1
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                2
 stoich =    2.0000000000000000     
fn,wm=      3.00000    60.08430
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          11 Mg_1Si_1O_3
 Element found          12 Mg   24.305000305175781                1
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   100.38870
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          11 Fe_1Si_1O_3
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   131.92870
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          11 Al_1Al_1O_3
 Element found          13 Al   26.981538772583008                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   101.96128
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          11 Fe_1Fe_1O_3
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   159.68820
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          11 Fe_1Fe_1O_3
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   159.68820
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          11 Fe_1Al_1O_3
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   130.82474
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          11 Fe_1Si_1O_3
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   131.92870
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          11 Mg_1Si_1O_3
 Element found          12 Mg   24.305000305175781                1
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   100.38870
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          11 Fe_1Si_1O_3
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   131.92870
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          11 Al_1Al_1O_3
 Element found          13 Al   26.981538772583008                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   101.96128
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          11 Fe_1Fe_1O_3
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   159.68820
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          11 Fe_1Fe_1O_3
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    3.0000000000000000     
fn,wm=      5.00000   159.68820
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          11 Mg_2Mg_2O_4
 Element found          12 Mg   24.305000305175781                1
 stoich =    2.0000000000000000     
 Element found          12 Mg   24.305000305175781                2
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    4.0000000000000000     
fn,wm=      8.00000   161.21760
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          11 Fe_2Fe_2O_4
 Element found          26 Fe   55.845001220703125                1
 stoich =    2.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    4.0000000000000000     
fn,wm=      8.00000   287.37761
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          11 Fe_2Fe_2O_4
 Element found          26 Fe   55.845001220703125                1
 stoich =    2.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    4.0000000000000000     
fn,wm=      8.00000   287.37761
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          11 Na_2Al_2O_4
 Element found          11 Na   22.989768981933594                1
 stoich =    2.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    4.0000000000000000     
fn,wm=      8.00000   163.94022
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          11 Fe_1Fe_2O_4
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    2.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    4.0000000000000000     
fn,wm=      7.00000   231.53260
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          15 Mg_1Al_1Al_1O_4
 Element found          12 Mg   24.305000305175781                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                3
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    4.0000000000000000     
fn,wm=      7.00000   142.26568
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          15 Fe_1Al_1Al_1O_4
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                3
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    4.0000000000000000     
fn,wm=      7.00000   173.80568
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  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          15 Na_1Al_1Si_1O_4
 Element found          11 Na   22.989768981933594                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    4.0000000000000000     
fn,wm=      7.00000   142.05441
  0  0  0  0  0  0  0  4  0  0  1  0  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          15 Fe_1Fe_1Fe_1O_4
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    1.0000000000000000     
 Element found          26 Fe   55.845001220703125                3
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    4.0000000000000000     
fn,wm=      7.00000   231.53260
  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  3  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          22 Na_1Mg_2(Al_5Si_1)O_12
 Element found          11 Na   22.989768981933594                1
 stoich =    1.0000000000000000     
 Element found          12 Mg   24.305000305175781                2
 stoich =    2.0000000000000000     
 Element found          13 Al   26.981538772583008                3
 stoich =    5.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    12.000000000000000     
fn,wm=     21.00000   426.58577
  0  0  0  0  0  0  0 12  0  0  1  2  5  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  5  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0 12  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          22 Na_1Fe_2(Al_5Si_1)O_12
 Element found          11 Na   22.989768981933594                1
 stoich =    1.0000000000000000     
 Element found          26 Fe   55.845001220703125                2
 stoich =    2.0000000000000000     
 Element found          13 Al   26.981538772583008                3
 stoich =    5.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    12.000000000000000     
fn,wm=     21.00000   489.66577
  0  0  0  0  0  0  0 12  0  0  1  0  5  1  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  5  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0 12  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          22 Na_1Na_2(Al_3Si_3)O_12
 Element found          11 Na   22.989768981933594                1
 stoich =    1.0000000000000000     
 Element found          11 Na   22.989768981933594                2
 stoich =    2.0000000000000000     
 Element found          13 Al   26.981538772583008                3
 stoich =    3.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    3.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    12.000000000000000     
fn,wm=     21.00000   426.16323
  0  0  0  0  0  0  0 12  0  0  3  0  3  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  3  3  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0 12  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          11 Al_2Si_1O_5
 Element found          13 Al   26.981538772583008                1
 stoich =    2.0000000000000000     
 Element found          14 Si   28.085500717163086                2
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                3
 stoich =    5.0000000000000000     
fn,wm=      8.00000   162.04558
  0  0  0  0  0  0  0  5  0  0  0  0  2  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  2  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  5  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
          15 Na_1Al_1Si_1O_4
 Element found          11 Na   22.989768981933594                1
 stoich =    1.0000000000000000     
 Element found          13 Al   26.981538772583008                2
 stoich =    1.0000000000000000     
 Element found          14 Si   28.085500717163086                3
 stoich =    1.0000000000000000     
 Element found           8 O    15.999400138854980                4
 stoich =    4.0000000000000000     
fn,wm=      7.00000   142.05441
  0  0  0  0  0  0  0  4  0  0  1  0  1  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  4  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
           4 Fe_1
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
fn,wm=      1.00000    55.84500
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
           4 Fe_1
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
fn,wm=      1.00000    55.84500
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
           4 Fe_1
 Element found          26 Fe   55.845001220703125                1
 stoich =    1.0000000000000000     
fn,wm=      1.00000    55.84500
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0  0
 number of sites in phase 3 (opx)           3
 in sitered           1           1
 in sitered           2           1
 in sitered           3           2
 in sitered           4           2
 in sitered           5           2
 in sitered           6           1
 in sitered           7           1
 in sitered           8           2
 in sitered           9           3
 in sitered          10           1
 in sitered          11           2
 in sitered          12           2
 in sitered          13           2
 in sitered          14           2
 in sitered          15           2
 in sitered          16           1
 in sitered          17           1
 in sitered          18           1
 in sitered          19           1
 in sitered          20           2
 in sitered          21           3
 in sitered          22           4
 in sitered          23           1
 in sitered          24           1
 in sitered          25           1
       an          ab                                                                                                                           2 an  ab  
   0.0000000000000000        13.000000000000000     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
Found w parameter    1    1    2    1    2 an   ab    an   ab      13.00000     0.00000
Found w parameter    1    2    1    2    1 ab   an    ab   an       0.00000     0.00000
          W and O    1    1    2    1    2 an   ab    an   ab      13.00000     0.00000     0.00000     0.00000
       sp          hc                                                                                                                           2 sp  hc  
   0.0000000000000000      -0.53320999999999996     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
Found w parameter    2    1    2    3    4 sp   hc    sp   hc      -0.53321     0.00000
Found w parameter    2    2    1    4    3 hc   sp    hc   sp       0.00000     0.00000
          W and O    2    1    2    3    4 sp   hc    sp   hc      -0.53321     0.00000     0.00000     0.00000
       fo          fa                                                                                                                           2 fo  fa  
   0.0000000000000000        4.6946599999999998     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
Found w parameter    3    1    2    5    6 fo   fa    fo   fa       4.69466     0.00000
Found w parameter    3    2    1    6    5 fa   fo    fa   fo       0.00000     0.00000
          W and O    3    1    2    5    6 fo   fa    fo   fa       4.69466     0.00000     0.00000     0.00000
       mgwa        fewa                                                                                                                         2 mgwafewa
   0.0000000000000000        13.202380000000000     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
Found w parameter    4    1    2    7    8 mgwa fewa  mgwa fewa    13.20238     0.00000
Found w parameter    4    2    1    8    7 fewa mgwa  fewa mgwa     0.00000     0.00000
          W and O    4    1    2    7    8 mgwa fewa  mgwa fewa    13.20238     0.00000     0.00000     0.00000
       mgri        feri                                                                                                                         2 mgriferi
   0.0000000000000000        7.6007400000000001     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
Found w parameter    5    1    2    9   10 mgri feri  mgri feri     7.60074     0.00000
Found w parameter    5    2    1   10    9 feri mgri  feri mgri     0.00000     0.00000
          W and O    5    1    2    9   10 mgri feri  mgri feri     7.60074     0.00000     0.00000     0.00000
       en          fs          mgts        odi                                                                                                  4 en  fs  mgtsodi 
   0.0000000000000000        0.0000000000000000        0.0000000000000000        32.217440000000003     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        32.217440000000003     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        48.370410000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
Found w parameter    6    1    2   11   12 en   fs    en   fs       0.00000     0.00000
Found w parameter    6    1    3   11   13 en   mgts  en   mgts     0.00000     0.00000
Found w parameter    6    1    4   11   14 en   odi   en   odi     32.21744     0.00000
Found w parameter    6    2    1   12   11 fs   en    fs   en       0.00000     0.00000
Found w parameter    6    2    3   12   13 fs   mgts  fs   mgts     0.00000     0.00000
Found w parameter    6    2    4   12   14 fs   odi   fs   odi     32.21744     0.00000
Found w parameter    6    3    1   13   11 mgts en    mgts en       0.00000     0.00000
Found w parameter    6    3    2   13   12 mgts fs    mgts fs       0.00000     0.00000
Found w parameter    6    3    4   13   14 mgts odi   mgts odi     48.37041     0.00000
Found w parameter    6    4    1   14   11 odi  en    odi  en       0.00000     0.00000
Found w parameter    6    4    2   14   12 odi  fs    odi  fs       0.00000     0.00000
Found w parameter    6    4    3   14   13 odi  mgts  odi  mgts     0.00000     0.00000
          W and O    6    1    2   11   12 en   fs    en   fs       0.00000     0.00000     0.00000     0.00000
          W and O    6    1    3   11   13 en   mgts  en   mgts     0.00000     0.00000     0.00000     0.00000
          W and O    6    1    4   11   14 en   odi   en   odi     32.21744     0.00000     0.00000     0.00000
          W and O    6    2    3   12   13 fs   mgts  fs   mgts     0.00000     0.00000     0.00000     0.00000
          W and O    6    2    4   12   14 fs   odi   fs   odi     32.21744     0.00000     0.00000     0.00000
          W and O    6    3    4   13   14 mgts odi   mgts odi     48.37041     0.00000     0.00000     0.00000
       di          he          cen         cats        jd                                                                                       5 di  he  cen catsjd  
   0.0000000000000000        0.0000000000000000        24.739999999999998        26.000000000000000        24.300000000000001     
   0.0000000000000000        0.0000000000000000        24.739999999999998        26.000000000000000        24.300000000000001     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        60.132809999999999        46.046070000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        10.000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
Found w parameter    7    1    2   15   16 di   he    di   he       0.00000     0.00000
Found w parameter    7    1    3   15   17 di   cen   di   cen     24.74000     0.00000
Found w parameter    7    1    4   15   18 di   cats  di   cats    26.00000     0.00000
Found w parameter    7    1    5   15   19 di   jd    di   jd      24.30000     0.00000
Found w parameter    7    2    1   16   15 he   di    he   di       0.00000     0.00000
Found w parameter    7    2    3   16   17 he   cen   he   cen     24.74000     0.00000
Found w parameter    7    2    4   16   18 he   cats  he   cats    26.00000     0.00000
Found w parameter    7    2    5   16   19 he   jd    he   jd      24.30000     0.00000
Found w parameter    7    3    1   17   15 cen  di    cen  di       0.00000     0.00000
Found w parameter    7    3    2   17   16 cen  he    cen  he       0.00000     0.00000
Found w parameter    7    3    4   17   18 cen  cats  cen  cats    60.13281     0.00000
Found w parameter    7    3    5   17   19 cen  jd    cen  jd      46.04607     0.00000
Found w parameter    7    4    1   18   15 cats di    cats di       0.00000     0.00000
Found w parameter    7    4    2   18   16 cats he    cats he       0.00000     0.00000
Found w parameter    7    4    3   18   17 cats cen   cats cen      0.00000     0.00000
Found w parameter    7    4    5   18   19 cats jd    cats jd      10.00000     0.00000
Found w parameter    7    5    1   19   15 jd   di    jd   di       0.00000     0.00000
Found w parameter    7    5    2   19   16 jd   he    jd   he       0.00000     0.00000
Found w parameter    7    5    3   19   17 jd   cen   jd   cen      0.00000     0.00000
Found w parameter    7    5    4   19   18 jd   cats  jd   cats     0.00000     0.00000
          W and O    7    1    2   15   16 di   he    di   he       0.00000     0.00000     0.00000     0.00000
          W and O    7    1    3   15   17 di   cen   di   cen     24.74000     0.00000     0.00000     0.00000
          W and O    7    1    4   15   18 di   cats  di   cats    26.00000     0.00000     0.00000     0.00000
          W and O    7    1    5   15   19 di   jd    di   jd      24.30000     0.00000     0.00000     0.00000
          W and O    7    2    3   16   17 he   cen   he   cen     24.74000     0.00000     0.00000     0.00000
          W and O    7    2    4   16   18 he   cats  he   cats    26.00000     0.00000     0.00000     0.00000
          W and O    7    2    5   16   19 he   jd    he   jd      24.30000     0.00000     0.00000     0.00000
          W and O    7    3    4   17   18 cen  cats  cen  cats    60.13281     0.00000     0.00000     0.00000
          W and O    7    3    5   17   19 cen  jd    cen  jd      46.04607     0.00000     0.00000     0.00000
          W and O    7    4    5   18   19 cats jd    cats jd      10.00000     0.00000     0.00000     0.00000
       mgc2        fec2                                                                                                                         2 mgc2fec2
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000     
Found w parameter    8    1    2   20   21 mgc2 fec2  mgc2 fec2     0.00000     0.00000
Found w parameter    8    2    1   21   20 fec2 mgc2  fec2 mgc2     0.00000     0.00000
          W and O    8    1    2   20   21 mgc2 fec2  mgc2 fec2     0.00000     0.00000     0.00000     0.00000
       mgil        feil        co          hem                                                                                                  4 mgilfeilco  hem 
   0.0000000000000000        0.0000000000000000        59.348689999999998        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        59.348689999999998        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        63.000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
 Test           1          22         200 mgilcapv                                                                            
Found w parameter   10    1    2   23   24 mgil feil  mgil feil     0.00000     0.00000
Found w parameter   10    1    3   23   25 mgil co    mgil co      59.34869     0.00000
Found w parameter   10    1    4   23   26 mgil hem   mgil hem      0.00000     0.00000
Found w parameter   10    2    1   24   23 feil mgil  feil mgil     0.00000     0.00000
Found w parameter   10    2    3   24   25 feil co    feil co      59.34869     0.00000
Found w parameter   10    2    4   24   26 feil hem   feil hem      0.00000     0.00000
Found w parameter   10    3    1   25   23 co   mgil  co   mgil     0.00000     0.00000
Found w parameter   10    3    2   25   24 co   feil  co   feil     0.00000     0.00000
Found w parameter   10    3    4   25   26 co   hem   co   hem     63.00000     0.00000
Found w parameter   10    4    1   26   23 hem  mgil  hem  mgil     0.00000     0.00000
Found w parameter   10    4    2   26   24 hem  feil  hem  feil     0.00000     0.00000
Found w parameter   10    4    3   26   25 hem  co    hem  co       0.00000     0.00000
          W and O   10    1    2   23   24 mgil feil  mgil feil     0.00000     0.00000     0.00000     0.00000
          W and O   10    1    3   23   25 mgil co    mgil co      59.34869     0.00000     0.00000     0.00000
          W and O   10    1    4   23   26 mgil hem   mgil hem      0.00000     0.00000     0.00000     0.00000
          W and O   10    2    3   24   25 feil co    feil co      59.34869     0.00000     0.00000     0.00000
          W and O   10    2    4   24   26 feil hem   feil hem      0.00000     0.00000     0.00000     0.00000
          W and O   10    3    4   25   26 co   hem   co   hem     63.00000     0.00000     0.00000     0.00000
       py          al          gr          mgmj        namj                                                                                     5 py  al  gr  mgmjnamj
   0.0000000000000000        0.0000000000000000        21.117580000000000        22.672419999999999        22.867490000000000     
   0.0000000000000000        0.0000000000000000        21.117580000000000        22.672419999999999        22.867490000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        60.718200000000003        60.729390000000002     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        70.879140000000007     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        1.0300000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        1.0300000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
Found w parameter   11    1    2   27   28 py   al    py   al       0.00000     0.00000
Found w parameter   11    1    3   27   29 py   gr    py   gr      21.11758     1.03000
Found w parameter   11    1    4   27   30 py   mgmj  py   mgmj    22.67242     0.00000
Found w parameter   11    1    5   27   31 py   namj  py   namj    22.86749     0.00000
Found w parameter   11    2    1   28   27 al   py    al   py       0.00000     0.00000
Found w parameter   11    2    3   28   29 al   gr    al   gr      21.11758     0.00000
Found w parameter   11    2    4   28   30 al   mgmj  al   mgmj    22.67242     0.00000
Found w parameter   11    2    5   28   31 al   namj  al   namj    22.86749     0.00000
Found w parameter   11    3    1   29   27 gr   py    gr   py       0.00000     0.00000
Found w parameter   11    3    2   29   28 gr   al    gr   al       0.00000     0.00000
Found w parameter   11    3    4   29   30 gr   mgmj  gr   mgmj    60.71820     1.03000
Found w parameter   11    3    5   29   31 gr   namj  gr   namj    60.72939     0.00000
Found w parameter   11    4    1   30   27 mgmj py    mgmj py       0.00000     0.00000
Found w parameter   11    4    2   30   28 mgmj al    mgmj al       0.00000     0.00000
Found w parameter   11    4    3   30   29 mgmj gr    mgmj gr       0.00000     0.00000
Found w parameter   11    4    5   30   31 mgmj namj  mgmj namj    70.87914     0.00000
Found w parameter   11    5    1   31   27 namj py    namj py       0.00000     0.00000
Found w parameter   11    5    2   31   28 namj al    namj al       0.00000     0.00000
Found w parameter   11    5    3   31   29 namj gr    namj gr       0.00000     0.00000
Found w parameter   11    5    4   31   30 namj mgmj  namj mgmj     0.00000     0.00000
          W and O   11    1    2   27   28 py   al    py   al       0.00000     0.00000     0.00000     0.00000
          W and O   11    1    3   27   29 py   gr    py   gr      21.11758     0.00000     1.03000     0.00000
          W and O   11    1    4   27   30 py   mgmj  py   mgmj    22.67242     0.00000     0.00000     0.00000
          W and O   11    1    5   27   31 py   namj  py   namj    22.86749     0.00000     0.00000     0.00000
          W and O   11    2    3   28   29 al   gr    al   gr      21.11758     0.00000     0.00000     0.00000
          W and O   11    2    4   28   30 al   mgmj  al   mgmj    22.67242     0.00000     0.00000     0.00000
          W and O   11    2    5   28   31 al   namj  al   namj    22.86749     0.00000     0.00000     0.00000
          W and O   11    3    4   29   30 gr   mgmj  gr   mgmj    60.71820     0.00000     1.03000     0.00000
          W and O   11    3    5   29   31 gr   namj  gr   namj    60.72939     0.00000     0.00000     0.00000
          W and O   11    4    5   30   31 mgmj namj  mgmj namj    70.87914     0.00000     0.00000     0.00000
       mgpv        fepv        alpv        hepv        hlpv        fapv        flpv                                                             7 mgpvfepvalpvhepvhlpvfapvflpv
   0.0000000000000000       -11.396170000000000        34.979869999999998        25.003750000000000        7.4031000000000002        0.0000000000000000        20.121469999999999     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000       -27.054269999999999     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
 Test           1          32         200 mgpvqtz                                                                             
 Test           1          33         200 mgpvcoes                                                                            
 Test           1          34         200 mgpvst                                                                              
 Test           1          35         200 mgpvapbo                                                                            
Found w parameter   16    1    2   36   37 mgpv fepv  mgpv fepv   -11.39617     0.00000
Found w parameter   16    1    3   36   38 mgpv alpv  mgpv alpv    34.97987     0.00000
Found w parameter   16    1    4   36   39 mgpv hepv  mgpv hepv    25.00375     0.00000
Found w parameter   16    1    5   36   40 mgpv hlpv  mgpv hlpv     7.40310     0.00000
Found w parameter   16    1    6   36   41 mgpv fapv  mgpv fapv     0.00000     0.00000
Found w parameter   16    1    7   36   42 mgpv flpv  mgpv flpv    20.12147     0.00000
Found w parameter   16    2    1   37   36 fepv mgpv  fepv mgpv     0.00000     0.00000
Found w parameter   16    2    3   37   38 fepv alpv  fepv alpv     0.00000     0.00000
Found w parameter   16    2    4   37   39 fepv hepv  fepv hepv     0.00000     0.00000
Found w parameter   16    2    5   37   40 fepv hlpv  fepv hlpv     0.00000     0.00000
Found w parameter   16    2    6   37   41 fepv fapv  fepv fapv     0.00000     0.00000
Found w parameter   16    2    7   37   42 fepv flpv  fepv flpv   -27.05427     0.00000
Found w parameter   16    3    1   38   36 alpv mgpv  alpv mgpv     0.00000     0.00000
Found w parameter   16    3    2   38   37 alpv fepv  alpv fepv     0.00000     0.00000
Found w parameter   16    3    4   38   39 alpv hepv  alpv hepv     0.00000     0.00000
Found w parameter   16    3    5   38   40 alpv hlpv  alpv hlpv     0.00000     0.00000
Found w parameter   16    3    6   38   41 alpv fapv  alpv fapv     0.00000     0.00000
Found w parameter   16    3    7   38   42 alpv flpv  alpv flpv     0.00000     0.00000
Found w parameter   16    4    1   39   36 hepv mgpv  hepv mgpv     0.00000     0.00000
Found w parameter   16    4    2   39   37 hepv fepv  hepv fepv     0.00000     0.00000
Found w parameter   16    4    3   39   38 hepv alpv  hepv alpv     0.00000     0.00000
Found w parameter   16    4    5   39   40 hepv hlpv  hepv hlpv     0.00000     0.00000
Found w parameter   16    4    6   39   41 hepv fapv  hepv fapv     0.00000     0.00000
Found w parameter   16    4    7   39   42 hepv flpv  hepv flpv     0.00000     0.00000
Found w parameter   16    5    1   40   36 hlpv mgpv  hlpv mgpv     0.00000     0.00000
Found w parameter   16    5    2   40   37 hlpv fepv  hlpv fepv     0.00000     0.00000
Found w parameter   16    5    3   40   38 hlpv alpv  hlpv alpv     0.00000     0.00000
Found w parameter   16    5    4   40   39 hlpv hepv  hlpv hepv     0.00000     0.00000
Found w parameter   16    5    6   40   41 hlpv fapv  hlpv fapv     0.00000     0.00000
Found w parameter   16    5    7   40   42 hlpv flpv  hlpv flpv     0.00000     0.00000
Found w parameter   16    6    1   41   36 fapv mgpv  fapv mgpv     0.00000     0.00000
Found w parameter   16    6    2   41   37 fapv fepv  fapv fepv     0.00000     0.00000
Found w parameter   16    6    3   41   38 fapv alpv  fapv alpv     0.00000     0.00000
Found w parameter   16    6    4   41   39 fapv hepv  fapv hepv     0.00000     0.00000
Found w parameter   16    6    5   41   40 fapv hlpv  fapv hlpv     0.00000     0.00000
Found w parameter   16    6    7   41   42 fapv flpv  fapv flpv     0.00000     0.00000
Found w parameter   16    7    1   42   36 flpv mgpv  flpv mgpv     0.00000     0.00000
Found w parameter   16    7    2   42   37 flpv fepv  flpv fepv     0.00000     0.00000
Found w parameter   16    7    3   42   38 flpv alpv  flpv alpv     0.00000     0.00000
Found w parameter   16    7    4   42   39 flpv hepv  flpv hepv     0.00000     0.00000
Found w parameter   16    7    5   42   40 flpv hlpv  flpv hlpv     0.00000     0.00000
Found w parameter   16    7    6   42   41 flpv fapv  flpv fapv     0.00000     0.00000
          W and O   16    1    2   36   37 mgpv fepv  mgpv fepv   -11.39617     0.00000     0.00000     0.00000
          W and O   16    1    3   36   38 mgpv alpv  mgpv alpv    34.97987     0.00000     0.00000     0.00000
          W and O   16    1    4   36   39 mgpv hepv  mgpv hepv    25.00375     0.00000     0.00000     0.00000
          W and O   16    1    5   36   40 mgpv hlpv  mgpv hlpv     7.40310     0.00000     0.00000     0.00000
          W and O   16    1    6   36   41 mgpv fapv  mgpv fapv     0.00000     0.00000     0.00000     0.00000
          W and O   16    1    7   36   42 mgpv flpv  mgpv flpv    20.12147     0.00000     0.00000     0.00000
          W and O   16    2    3   37   38 fepv alpv  fepv alpv     0.00000     0.00000     0.00000     0.00000
          W and O   16    2    4   37   39 fepv hepv  fepv hepv     0.00000     0.00000     0.00000     0.00000
          W and O   16    2    5   37   40 fepv hlpv  fepv hlpv     0.00000     0.00000     0.00000     0.00000
          W and O   16    2    6   37   41 fepv fapv  fepv fapv     0.00000     0.00000     0.00000     0.00000
          W and O   16    2    7   37   42 fepv flpv  fepv flpv   -27.05427     0.00000     0.00000     0.00000
          W and O   16    3    4   38   39 alpv hepv  alpv hepv     0.00000     0.00000     0.00000     0.00000
          W and O   16    3    5   38   40 alpv hlpv  alpv hlpv     0.00000     0.00000     0.00000     0.00000
          W and O   16    3    6   38   41 alpv fapv  alpv fapv     0.00000     0.00000     0.00000     0.00000
          W and O   16    3    7   38   42 alpv flpv  alpv flpv     0.00000     0.00000     0.00000     0.00000
          W and O   16    4    5   39   40 hepv hlpv  hepv hlpv     0.00000     0.00000     0.00000     0.00000
          W and O   16    4    6   39   41 hepv fapv  hepv fapv     0.00000     0.00000     0.00000     0.00000
          W and O   16    4    7   39   42 hepv flpv  hepv flpv     0.00000     0.00000     0.00000     0.00000
          W and O   16    5    6   40   41 hlpv fapv  hlpv fapv     0.00000     0.00000     0.00000     0.00000
          W and O   16    5    7   40   42 hlpv flpv  hlpv flpv     0.00000     0.00000     0.00000     0.00000
          W and O   16    6    7   41   42 fapv flpv  fapv flpv     0.00000     0.00000     0.00000     0.00000
       mppv        fppv        appv        hppv        lppv                                                                                     5 mppvfppvappvhppvlppv
   0.0000000000000000       -10.955489999999999        35.000000000000000        35.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        35.000000000000000        35.000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
Found w parameter   17    1    2   43   44 mppv fppv  mppv fppv   -10.95549     0.00000
Found w parameter   17    1    3   43   45 mppv appv  mppv appv    35.00000     0.00000
Found w parameter   17    1    4   43   46 mppv hppv  mppv hppv    35.00000     0.00000
Found w parameter   17    1    5   43   47 mppv lppv  mppv lppv     0.00000     0.00000
Found w parameter   17    2    1   44   43 fppv mppv  fppv mppv     0.00000     0.00000
Found w parameter   17    2    3   44   45 fppv appv  fppv appv    35.00000     0.00000
Found w parameter   17    2    4   44   46 fppv hppv  fppv hppv    35.00000     0.00000
Found w parameter   17    2    5   44   47 fppv lppv  fppv lppv     0.00000     0.00000
Found w parameter   17    3    1   45   43 appv mppv  appv mppv     0.00000     0.00000
Found w parameter   17    3    2   45   44 appv fppv  appv fppv     0.00000     0.00000
Found w parameter   17    3    4   45   46 appv hppv  appv hppv     0.00000     0.00000
Found w parameter   17    3    5   45   47 appv lppv  appv lppv     0.00000     0.00000
Found w parameter   17    4    1   46   43 hppv mppv  hppv mppv     0.00000     0.00000
Found w parameter   17    4    2   46   44 hppv fppv  hppv fppv     0.00000     0.00000
Found w parameter   17    4    3   46   45 hppv appv  hppv appv     0.00000     0.00000
Found w parameter   17    4    5   46   47 hppv lppv  hppv lppv     0.00000     0.00000
Found w parameter   17    5    1   47   43 lppv mppv  lppv mppv     0.00000     0.00000
Found w parameter   17    5    2   47   44 lppv fppv  lppv fppv     0.00000     0.00000
Found w parameter   17    5    3   47   45 lppv appv  lppv appv     0.00000     0.00000
Found w parameter   17    5    4   47   46 lppv hppv  lppv hppv     0.00000     0.00000
          W and O   17    1    2   43   44 mppv fppv  mppv fppv   -10.95549     0.00000     0.00000     0.00000
          W and O   17    1    3   43   45 mppv appv  mppv appv    35.00000     0.00000     0.00000     0.00000
          W and O   17    1    4   43   46 mppv hppv  mppv hppv    35.00000     0.00000     0.00000     0.00000
          W and O   17    1    5   43   47 mppv lppv  mppv lppv     0.00000     0.00000     0.00000     0.00000
          W and O   17    2    3   44   45 fppv appv  fppv appv    35.00000     0.00000     0.00000     0.00000
          W and O   17    2    4   44   46 fppv hppv  fppv hppv    35.00000     0.00000     0.00000     0.00000
          W and O   17    2    5   44   47 fppv lppv  fppv lppv     0.00000     0.00000     0.00000     0.00000
          W and O   17    3    4   45   46 appv hppv  appv hppv     0.00000     0.00000     0.00000     0.00000
          W and O   17    3    5   45   47 appv lppv  appv lppv     0.00000     0.00000     0.00000     0.00000
          W and O   17    4    5   46   47 hppv lppv  hppv lppv     0.00000     0.00000     0.00000     0.00000
       pe          wu          wuls        anao        mag                                                                                      5 pe  wu  wulsanaomag 
   0.0000000000000000        44.000000000000000       -87.003270000000001        120.00000000000000        137.13638000000000     
   0.0000000000000000        0.0000000000000000       -60.219059999999999        120.00000000000000        58.500000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        120.00000000000000        58.500000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        120.00000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000       0.44000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
Found w parameter   18    1    2   48   49 pe   wu    pe   wu      44.00000     0.44000
Found w parameter   18    1    3   48   50 pe   wuls  pe   wuls   -87.00327     0.00000
Found w parameter   18    1    4   48   51 pe   anao  pe   anao   120.00000     0.00000
Found w parameter   18    1    5   48   52 pe   mag   pe   mag    137.13638     0.00000
Found w parameter   18    2    1   49   48 wu   pe    wu   pe       0.00000     0.00000
Found w parameter   18    2    3   49   50 wu   wuls  wu   wuls   -60.21906     0.00000
Found w parameter   18    2    4   49   51 wu   anao  wu   anao   120.00000     0.00000
Found w parameter   18    2    5   49   52 wu   mag   wu   mag     58.50000     0.00000
Found w parameter   18    3    1   50   48 wuls pe    wuls pe       0.00000     0.00000
Found w parameter   18    3    2   50   49 wuls wu    wuls wu       0.00000     0.00000
Found w parameter   18    3    4   50   51 wuls anao  wuls anao   120.00000     0.00000
Found w parameter   18    3    5   50   52 wuls mag   wuls mag     58.50000     0.00000
Found w parameter   18    4    1   51   48 anao pe    anao pe       0.00000     0.00000
Found w parameter   18    4    2   51   49 anao wu    anao wu       0.00000     0.00000
Found w parameter   18    4    3   51   50 anao wuls  anao wuls     0.00000     0.00000
Found w parameter   18    4    5   51   52 anao mag   anao mag    120.00000     0.00000
Found w parameter   18    5    1   52   48 mag  pe    mag  pe       0.00000     0.00000
Found w parameter   18    5    2   52   49 mag  wu    mag  wu       0.00000     0.00000
Found w parameter   18    5    3   52   50 mag  wuls  mag  wuls     0.00000     0.00000
Found w parameter   18    5    4   52   51 mag  anao  mag  anao     0.00000     0.00000
          W and O   18    1    2   48   49 pe   wu    pe   wu      44.00000     0.00000     0.44000     0.00000
          W and O   18    1    3   48   50 pe   wuls  pe   wuls   -87.00327     0.00000     0.00000     0.00000
          W and O   18    1    4   48   51 pe   anao  pe   anao   120.00000     0.00000     0.00000     0.00000
          W and O   18    1    5   48   52 pe   mag   pe   mag    137.13638     0.00000     0.00000     0.00000
          W and O   18    2    3   49   50 wu   wuls  wu   wuls   -60.21906     0.00000     0.00000     0.00000
          W and O   18    2    4   49   51 wu   anao  wu   anao   120.00000     0.00000     0.00000     0.00000
          W and O   18    2    5   49   52 wu   mag   wu   mag     58.50000     0.00000     0.00000     0.00000
          W and O   18    3    4   50   51 wuls anao  wuls anao   120.00000     0.00000     0.00000     0.00000
          W and O   18    3    5   50   52 wuls mag   wuls mag     58.50000     0.00000     0.00000     0.00000
          W and O   18    4    5   51   52 anao mag   anao mag    120.00000     0.00000     0.00000     0.00000
       mgcf        fecf        nacf        hmag                                                                                                 4 mgcffecfnacfhmag
   0.0000000000000000        0.0000000000000000        60.825080000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        60.825080000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000        0.0000000000000000     
Found w parameter   19    1    2   53   54 mgcf fecf  mgcf fecf     0.00000     0.00000
Found w parameter   19    1    3   53   55 mgcf nacf  mgcf nacf    60.82508     0.00000
Found w parameter   19    1    4   53   56 mgcf hmag  mgcf hmag     0.00000     0.00000
Found w parameter   19    2    1   54   53 fecf mgcf  fecf mgcf     0.00000     0.00000
Found w parameter   19    2    3   54   55 fecf nacf  fecf nacf    60.82508     0.00000
Found w parameter   19    2    4   54   56 fecf hmag  fecf hmag     0.00000     0.00000
Found w parameter   19    3    1   55   53 nacf mgcf  nacf mgcf     0.00000     0.00000
Found w parameter   19    3    2   55   54 nacf fecf  nacf fecf     0.00000     0.00000
Found w parameter   19    3    4   55   56 nacf hmag  nacf hmag     0.00000     0.00000
Found w parameter   19    4    1   56   53 hmag mgcf  hmag mgcf     0.00000     0.00000
Found w parameter   19    4    2   56   54 hmag fecf  hmag fecf     0.00000     0.00000
Found w parameter   19    4    3   56   55 hmag nacf  hmag nacf     0.00000     0.00000
          W and O   19    1    2   53   54 mgcf fecf  mgcf fecf     0.00000     0.00000     0.00000     0.00000
          W and O   19    1    3   53   55 mgcf nacf  mgcf nacf    60.82508     0.00000     0.00000     0.00000
          W and O   19    1    4   53   56 mgcf hmag  mgcf hmag     0.00000     0.00000     0.00000     0.00000
          W and O   19    2    3   54   55 fecf nacf  fecf nacf    60.82508     0.00000     0.00000     0.00000
          W and O   19    2    4   54   56 fecf hmag  fecf hmag     0.00000     0.00000     0.00000     0.00000
          W and O   19    3    4   55   56 nacf hmag  nacf hmag     0.00000     0.00000     0.00000     0.00000
       mnal        fnal        nnal                                                                                                             3 mnalfnalnnal
   0.0000000000000000        0.0000000000000000       -60.781469999999999     
   0.0000000000000000        0.0000000000000000       -60.781469999999999     
   0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000     
   0.0000000000000000        0.0000000000000000        0.0000000000000000     
Found w parameter   20    1    2   57   58 mnal fnal  mnal fnal     0.00000     0.00000
Found w parameter   20    1    3   57   59 mnal nnal  mnal nnal   -60.78147     0.00000
Found w parameter   20    2    1   58   57 fnal mnal  fnal mnal     0.00000     0.00000
Found w parameter   20    2    3   58   59 fnal nnal  fnal nnal   -60.78147     0.00000
Found w parameter   20    3    1   59   57 nnal mnal  nnal mnal     0.00000     0.00000
Found w parameter   20    3    2   59   58 nnal fnal  nnal fnal     0.00000     0.00000
          W and O   20    1    2   57   58 mnal fnal  mnal fnal     0.00000     0.00000     0.00000     0.00000
          W and O   20    1    3   57   59 mnal nnal  mnal nnal   -60.78147     0.00000     0.00000     0.00000
          W and O   20    2    3   58   59 fnal nnal  fnal nnal   -60.78147     0.00000     0.00000     0.00000
          25  Phases
Non-zero W parameter found  1  1  1  2  0    13.00000
Non-zero W parameter found  2  1  3  4  1    -0.53321
Non-zero W parameter found  3  1  5  6  1     4.69466
Non-zero W parameter found  4  1  7  8  1    13.20238
Non-zero W parameter found  5  1  9 10  1     7.60074
Non-zero W parameter found  6  1 11 14  1    32.21744
Non-zero W parameter found  6  1 12 14  1    32.21744
Non-zero W parameter found  6  1 13 14  1    48.37041
Non-zero W parameter found  7  1 15 17  0    24.74000
Non-zero W parameter found  7  1 15 18  0    26.00000
Non-zero W parameter found  7  1 15 19  0    24.30000
Non-zero W parameter found  7  1 16 17  0    24.74000
Non-zero W parameter found  7  1 16 18  0    26.00000
Non-zero W parameter found  7  1 16 19  0    24.30000
Non-zero W parameter found  7  1 17 18  1    60.13281
Non-zero W parameter found  7  1 17 19  1    46.04607
Non-zero W parameter found  7  1 18 19  0    10.00000
Non-zero W parameter found 10  1 23 25  1    59.34869
Non-zero W parameter found 10  1 24 25  0    59.34869
Non-zero W parameter found 10  1 25 26  0    63.00000
Non-zero W parameter found 11  1 27 29  1    21.11758
Non-zero W parameter found 11  1 27 30  1    22.67242
Non-zero W parameter found 11  1 27 31  0    22.86749
Non-zero W parameter found 11  1 28 29  0    21.11758
Non-zero W parameter found 11  1 28 30  0    22.67242
Non-zero W parameter found 11  1 28 31  0    22.86749
Non-zero W parameter found 11  1 29 30  1    60.71820
Non-zero W parameter found 11  1 29 31  0    60.72939
Non-zero W parameter found 11  1 30 31  1    70.87914
Non-zero W parameter found 16  1 36 37  1   -11.39617
Non-zero W parameter found 16  1 36 38  1    34.97987
Non-zero W parameter found 16  1 36 39  1    25.00375
Non-zero W parameter found 16  1 36 40  1     7.40310
Non-zero W parameter found 16  1 36 42  1    20.12147
Non-zero W parameter found 16  1 37 42  1   -27.05427
Non-zero W parameter found 17  1 43 44  1   -10.95549
Non-zero W parameter found 17  1 43 45  0    35.00000
Non-zero W parameter found 17  1 43 46  0    35.00000
Non-zero W parameter found 17  1 44 45  0    35.00000
Non-zero W parameter found 17  1 44 46  0    35.00000
Non-zero W parameter found 18  1 48 49  0    44.00000
Non-zero W parameter found 18  1 48 50  1   -87.00327
Non-zero W parameter found 18  1 48 51  0   120.00000
Non-zero W parameter found 18  1 48 52  0   137.13638
Non-zero W parameter found 18  1 49 50  1   -60.21906
Non-zero W parameter found 18  1 49 51  0   120.00000
Non-zero W parameter found 18  1 49 52  0    58.50000
Non-zero W parameter found 18  1 50 51  0   120.00000
Non-zero W parameter found 18  1 50 52  0    58.50000
Non-zero W parameter found 18  1 51 52  0   120.00000
Non-zero W parameter found 19  1 53 55  1    60.82508
Non-zero W parameter found 19  1 54 55  0    60.82508
Non-zero W parameter found 20  1 57 59  1   -60.78147
Non-zero W parameter found 20  1 58 59  0   -60.78147
 an  
           1 fei_95           1
           1 krupkaetal_79           1
           2 robieetal_78           2
 in cpsub   530.35915621458435     
 cpfac an     1.0000000000000000        319.66507817487297        530.35915621458435        0.0000000000000000        0.0000000000000000       -0.0000000000000000       -4234.0000000000000     
           1 angeletal_88           1
 After comsub  0.97274001829552703     
           1 bass_95           1
 After kgpsub   84.200000000000003        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub an  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =           21           2
 WARNING: Species not found in cijpsuban  
an     100.61    84.20     0.00     0.97   530.36     1.01     0.00    39.90     0.00     0.00    87.30     4.00     1.00 -4034.90     0.00     0.00
   0.000   0.000   0.000   2.550   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0001273.000   0.000 300.000 300.000   0.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000   0.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 ab  
           1 fei_95           1
 WARNING: Species not found in cpsub ab  
           1 downspalmer_94           1
 After comsub  0.93964128598523555     
           1 brownetal_06b           1
 After kgpsub   60.000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub ab  
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubab  
 WARNING: Species not found in cijpsubab  
ab     100.45    60.00     0.00     0.94     0.00     1.03     0.00    36.00     0.00     0.00    54.00     6.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   4.050   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.0001378.000   0.000 300.000 300.000   0.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 297.000   0.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 sp  
           1 fiquetetal_99           1
 WARNING: Species not found in cpsub sp  
           1 fingeretal_86           1
 After comsub  0.98037785827097557     
           1 zouetal_13           1
 After kgpsub   196.00000000000000        4.5999999999999996     
           1 cynnetal_93           1
 After kgtsub  -18.599999999999994     
 WARNING: Species not found in hugsub sp  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            3         227
sp     159.05   196.00   253.18     0.98     0.00     1.06   -18.60   109.00   115.55    -8.40   194.00     4.00     0.00     0.00     0.00     0.00
   0.000   0.000  12.800   4.000   0.000   0.000   1.000  12.800   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.0002288.0001000.000 300.000 300.0001000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 298.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 hc  
           1 harrisonetal_98           1
 WARNING: Species not found in cpsub hc  
 WARNING: Species not found in comsub hc  
 After comsub   0.0000000000000000     
           1 bass_95           1
 After kgpsub   210.30000000000001        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub hc  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            3         227
 WARNING: Species not found in cijpsubhc  
hc     163.37   210.30     0.00     0.00     0.00     1.03     0.00    84.50     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.0001473.000   0.000 300.000 300.0001000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 fo  
           1 bouhifdetal_96           1
           1 robiehemingway_95           1
 in cpsub   276.22101230440205     
 cpfac fo     1.0000000000000000        175.13797434118047        276.22101230440205       -2192.4834332876326       -2192.4834332876326       -2053.5999999999999       -2173.0000000000000     
           1 willetal_86           1
 After comsub  0.85167323086964253     
           1 zhaetal_96           1
 After kgpsub   128.80000000000001        4.2000000000000002     
           1 andersonisaak_95           1
 After kgtsub  -24.899999999999991     
 WARNING: Species not found in hugsub fo  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            9          62
 WARNING: No elastic constants foundfo  
fo      43.60   128.80   192.90     0.85   276.22     1.07   -24.90    81.60   101.93   -20.40   135.70     3.98     1.00 -2063.72 -2192.48     0.00
   0.000   0.000  16.000  30.000   0.000   0.000   1.000  16.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0002150.0001700.000 300.000 300.0001700.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 fa  
           1 fei_95           1
           1 robiehemingway_95           1
 in cpsub   349.15693066427082     
 cpfac fa     1.0000000000000000        188.03300000000002        349.15693066427082       -1564.8455612611963       -1564.8455612611963       -1379.0999999999999       -1478.2000000000000     
           1 knittle_95           1
 After comsub  0.84234187704595964     
           1 spezialeetal_04           1
 After kgpsub   137.56999999999999        4.8499999999999996     
           1 andersonisaak_95           1
 After kgtsub  -8.6999999999999886     
 WARNING: Species not found in hugsub fa  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            9          62
 WARNING: No elastic constants foundfa  
 WARNING: Species not found in cijpsubfa  
fa      46.29   137.57   193.96     0.84   349.16     1.03    -8.70    51.22    60.46    -3.60   124.00     4.00     1.00 -1359.81 -1564.85     0.00
   0.000   0.000  12.100  30.000   0.000   0.000   1.000  12.100   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0001123.000 700.000 300.000 300.000 700.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 303.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 mgwa
           1 fei_95           1
 WARNING: Species not found in cpsub mgwa
           1 knittle_95           1
 After comsub  0.94950778296659999     
           1 sinogeikinetal_98           1
           2 wangetal_14a           2
 After kgpsub   170.00000000000000        4.0999999999999996     
           1 feietal_92           1
           2 lietal_01           2
 After kgtsub  -16.200000000000003     
 WARNING: Species not found in hugsub mgwa
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubmgwa
 WARNING: Species not found in cijpsubmgwa
mgwa    40.52   170.00   239.67     0.95     0.00     1.02   -16.20   112.00   135.69   -10.20   174.00     4.00     0.00     0.00     0.00     0.00
   0.000   0.000  17.700  10.000   0.000   0.000  -1.000  17.700   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.0001073.000 900.000 300.000 300.000 900.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 fewa
 WARNING: Species not found in cpsub fewa
 WARNING: Species not found in comsub fewa
 After comsub   0.0000000000000000     
           1 sinogeikinetal_98           1
 After kgpsub   170.00000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub fewa
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubfewa
 WARNING: Species not found in cijpsubfewa
fewa    42.80   170.00     0.00     0.00     0.00     0.00     0.00    72.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.000   0.000   0.000 300.000 300.000 900.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 mgri
           1 fei_95           1
 WARNING: Species not found in cpsub mgri
           1 knittle_95           1
 After comsub  0.84210711659672999     
           1 sinogeikinetal_03           1
           2 higoetal_08           2
 After kgpsub   186.00000000000000        4.2000000000000002     
           1 sinogeikinetal_01           1
           2 higoetal_08           2
 After kgtsub  -12.460000000000001     
 WARNING: Species not found in hugsub mgri
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubmgri
 WARNING: Species not found in cijpsubmgri
mgri    39.49   186.00   250.89     0.84     0.00     1.02   -12.46   123.00   142.21    -9.34   183.20     5.38     0.00     0.00     0.00     0.00
   0.000   0.000  16.000  50.000   0.000   0.000   1.000  16.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.0001023.000 923.000 300.000 300.000 923.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 297.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 feri
           1 maoetal_69           1
 WARNING: Species not found in cpsub feri
 WARNING: Species not found in comsub feri
 After comsub   0.0000000000000000     
           1 sinogeikinetal_03           1
 After kgpsub   215.00000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub feri
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubferi
 WARNING: Species not found in cijpsubferi
feri    41.86   215.00     0.00     0.00     0.00     1.01     0.00    92.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.000 673.000   0.000 300.000 300.000 923.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 298.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 en  
           1 jacksonetal_03           1
 WARNING: # of alpha components does not match symmetr                                                            y           1
           1 thieblotetal_99           1
           2 krupkaetal_85           2
 in cpsub   196.31772924960774     
 cpfac en     2.0000000000000000        126.09385786571306        196.31772924960774        0.0000000000000000        0.0000000000000000       -0.0000000000000000       -1545.5999999999999     
           1 hughjonesangel_97           1
 After comsub  0.95599374416160043     
           1 jacksonetal_99           1
           2 fleschetal_98           2
 After kgpsub   107.59999999999999        7.0000000000000000     
           1 jacksonetal_07           1
 After kgtsub  -20.329899999999999     
 WARNING: Species not found in hugsub en  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            9          61
 WARNING: Species not found in cijpsuben  
en      62.68   107.60   172.39     0.96   392.64     1.04   -20.33    76.80    90.34   -10.51   109.24     9.05     2.00 -1467.19     0.00     0.00
   0.000   0.000  10.000   6.000   0.000   0.000   1.000  10.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0001473.0001073.000 300.000 300.0001073.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 fs  
           1 hughjones_97           1
 WARNING: # of alpha components does not match symmetr                                                            y           1
 WARNING: Species not found in cpsub fs  
           1 hughjonesangel_97           1
 After comsub  0.95592316529030263     
           1 bass_95           1
           2 jacksonetal_99           2
 After kgpsub   101.00000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub fs  
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubfs  
 WARNING: Species not found in cijpsubfs  
fs      65.94   101.00     0.00     0.96     0.00     1.02     0.00    52.00     0.00     0.00    95.10    10.60     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   5.400   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.000 900.000   0.000 300.000 300.0001073.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 mgts
 WARNING: Species not found in cpsub mgts
 WARNING: Species not found in comsub mgts
 After comsub   0.0000000000000000     
 WARNING: Species not found in kgpsub mgts
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub mgts
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubmgts
 WARNING: Species not found in cijpsubmgts
mgts    59.14     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.000   0.000   0.000 300.000 300.0001073.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 odi 
 WARNING: Species not found in cpsub odi 
 WARNING: Species not found in comsub odi 
 After comsub   0.0000000000000000     
 WARNING: Species not found in kgpsub odi 
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub odi 
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubodi 
 WARNING: Species not found in cijpsubodi 
odi     68.05     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.000   0.000   0.000 300.000 300.0001073.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 di  
           1 fei_95           1
           1 robiehemingway_95           1
 in cpsub   403.01449506037989     
 cpfac di     1.0000000000000000        247.46864845007906        403.01449506037989       -3230.9293343278691       -3230.9293343278691       -3026.8000000000002       -3201.5000000000000     
           1 levienprewitt_81           1
 After comsub  0.95861269111764691     
           1 sangbass_14           1
 After kgpsub   114.59999999999999        4.7999999999999998     
           1 isaaketal_06           1
 After kgtsub  -12.300000000000001     
 WARNING: Species not found in hugsub di  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =           13          15
 WARNING: Species not found in cijpsubdi  
di      66.04   114.60   178.45     0.96   403.01     1.03   -12.30    72.70    94.08    -9.98   114.00     4.50     1.00 -3045.16 -3230.93     0.00
   0.000   0.000  14.000   5.300   0.000   0.000   1.000  14.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0001273.0001300.000 300.000 300.0001300.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 297.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 he  
           1 fei_95           1
           1 robiehemingway_95           1
 in cpsub   442.00545902401814     
 cpfac he     1.0000000000000000        256.67669801022521        442.00545902401814        0.0000000000000000        0.0000000000000000       -0.0000000000000000       -2839.9000000000001     
           1 huetal_15           1
 After comsub  0.83585080216913554     
           1 kandelinweidner_88b           1
 After kgpsub   120.00000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub he  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =           13          15
 WARNING: Species not found in cijpsubhe  
he      67.87   120.00     0.00     0.84   442.01     1.03     0.00    61.00     0.00     0.00   131.00     3.80     1.00 -2679.19     0.00     0.00
   0.000   0.000   0.000  33.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0001273.000   0.000 300.000 300.0001300.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 297.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 cen 
 WARNING: Species not found in cpsub cen 
 WARNING: Species not found in comsub cen 
 After comsub   0.0000000000000000     
 WARNING: Species not found in kgpsub cen 
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub cen 
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubcen 
 WARNING: Species not found in cijpsubcen 
cen     62.50     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.000   0.000   0.000 300.000 300.0001300.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 297.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 cats
           1 haseltonetal_84           1
           1 etzeletal_07           1
 WARNING: Cp T less than standard
 in cpsub   380.16168414548156     
 cpfac cats   1.0000000000000000        243.81932784636490        380.16168414548156        0.0000000000000000        0.0000000000000000       -0.0000000000000000       -3306.3000000000002     
 WARNING: Species not found in comsub cats
 After comsub   0.0000000000000000     
 WARNING: Species not found in kgpsub cats
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub cats
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubcats
 WARNING: Species not found in cijpsubcats
cats    63.57     0.00     0.00     0.00   380.16     1.03     0.00     0.00     0.00     0.00     0.00     0.00     1.00 -3175.02     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000 900.0001473.000   0.000 300.000 300.0001300.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 jd  
           1 fei_95           1
           1 hemingwayetal_98           1
 in cpsub   389.73211000360925     
 cpfac jd     1.0000000000000000        243.65258790059616        389.73211000360925       -3048.4198166828087       -3048.4198166828087       -2851.5000000000000       -3029.3000000000002     
 WARNING: Species not found in comsub jd  
 After comsub   0.0000000000000000     
           1 kandelinweidner_88a           1
 After kgpsub   143.00000000000000        0.0000000000000000     
           1 zhaoetal_97           1
 After kgtsub  -16.170000000000002     
 WARNING: Species not found in hugsub jd  
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubjd  
 WARNING: Species not found in cijpsubjd  
jd      60.51   143.00     0.00     0.00   389.73     1.02   -16.17    85.00     0.00     0.00     0.00     0.00     1.00 -2877.19 -3048.42     0.00
   0.000   0.000   0.000   0.000   0.000   0.000  -1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.0001000.0001073.0001280.000 300.000 300.0001280.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 297.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 mgc2
           1 kungetal_05           1
 WARNING: Species not found in cpsub mgc2
           1 shinmeietal_99           1
 After comsub  0.91510260473898386     
           1 kungetal_05           1
 After kgpsub   156.00000000000000        0.0000000000000000     
           1 kungetal_05           1
 WARNING: Adiabatic modulus at pressure?
 After kgtsub  -14.841000000000001     
 WARNING: Species not found in hugsub mgc2
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubmgc2
 WARNING: Species not found in cijpsubmgc2
mgc2    60.76   156.00   198.00     0.92     0.00     1.03   -14.84    99.00   110.25   -13.09   106.90     5.30     0.00     0.00     0.00     0.00
   0.000   0.000  14.000  12.000   0.000   6.500   6.500  14.000   0.000   6.500   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.0001273.0001173.000 300.000 300.0001173.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   6.500   4.000   0.000   0.000   0.000   6.500   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 fec2
 WARNING: Vo is very large
 WARNING: Species not found in cpsub fec2
           1 hughjonesetal_96           1
 After comsub   61.799999999999997     
 WARNING: Species not found in kgpsub fec2
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub fec2
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubfec2
 WARNING: Species not found in cijpsubfec2
fec2   999.99     0.00     0.00    61.80     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   4.200   0.000   6.500   6.500   0.000   0.000   6.500   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.000   0.000   0.000 300.000 300.0001173.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 capv
           1 shimetal_00           1
 WARNING: Species not found in cpsub capv
           1 shimetal_00           1
 After comsub  0.77888593766825409     
           1 karkicrain_98           1
 After kgpsub   0.0000000000000000        0.0000000000000000     
           1 wangetal_96           1
 After kgtsub  -42.900000000000006     
 WARNING: Species not found in hugsub capv
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            3         221
 WARNING: Species not found in cijpsubcapv
capv    27.45     0.00     0.00     0.78     0.00     1.03   -42.90   165.00   421.06     0.00   236.00     3.90     0.00     0.00     0.00     0.00
   0.000   0.000 140.000  96.000   0.000  40.000  -1.000 140.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000  -1.000 300.000   0.0001600.0001600.000  -1.000 300.0001600.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 mgil
           1 fei_95           1
 WARNING: Species not found in cpsub mgil
           1 dasilvaetal_99           1
 After comsub  0.89915225400443644     
           1 weidnerito_85           1
           2 zhouetal_14           2
 After kgpsub   212.00000000000000        0.0000000000000000     
           1 zhouetal_14           1
 WARNING: Adiabatic modulus at pressure?
 After kgtsub  -27.360000000000003     
 WARNING: Species not found in hugsub mgil
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            7         148
 WARNING: Species not found in cijpsubmgil
mgil    26.35   212.00   335.00     0.90     0.00     1.01   -27.36   132.00   172.78   -27.00   222.00     4.50     0.00     0.00     0.00     0.00
   0.000   0.000  25.020  30.000   0.000   0.000  20.000  25.020   0.000  20.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.000 876.0001500.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 298.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 feil
 WARNING: Species not found in cpsub feil
 WARNING: Species not found in comsub feil
 After comsub   0.0000000000000000     
 WARNING: Species not found in kgpsub feil
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub feil
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubfeil
 WARNING: Species not found in cijpsubfeil
feil    26.85     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000  20.000   0.000   0.000  20.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.000   0.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 298.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 co  
           1 fei_95           1
           1 robiehemingway_95           1
 in cpsub   180.28790217091034     
 cpfac co     1.0000000000000000        125.08257957881688        180.28790217091034       -1669.3931732961364       -1669.3931732961364       -1582.3000000000000       -1675.7000000000000     
           1 dewaeletorrent_13           1
 After comsub  0.71283152536190530     
           1 gieskebarsch_68           1
 After kgpsub   254.19999999999999        0.0000000000000000     
           1 andersonisaak_95           1
 After kgtsub  -31.799999999999983     
 WARNING: Species not found in hugsub co  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            6         167
 WARNING: No elastic constants foundco  
co      25.58   254.20     0.00     0.71   180.29     1.06   -31.80   163.20     0.00   -35.50   255.84     3.82     1.00 -1597.68 -1669.39     0.00
   0.000   0.000   1.000 165.000   0.000   0.000   1.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0002298.0001800.000 300.000 300.0001800.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 hem 
           1 saito_65           1
           1 robiehemingway_95           1
 WARNING: Cp T less than standard
 in cpsub   234.50301942848455     
 cpfac hem    1.0000000000000000        170.25246913580258        234.50301942848455       -846.06779855111654       -846.06779855111654       -744.39999999999998       -826.20000000000005     
           1 liuetal_03           1
 After comsub  0.84204651032535538     
           1 liebermannschreiber_68           1
 After kgpsub   206.59999999999999        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub hem 
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubhem 
 WARNING: Species not found in cijpsubhem 
hem     30.29   206.60     0.00     0.84   234.50     1.04     0.00    91.00     0.00     0.00   206.10     4.00     1.00  -742.87  -846.07     0.00
   0.000   0.000   0.000  50.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 900.0001373.000   0.000 300.000 300.0001800.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 py  
           1 thieblotetal_98           1
           1 robiehemingway_95           1
 in cpsub   779.13957380156353     
 cpfac py     1.0000000000000000        490.92380256479271        779.13957380156353        0.0000000000000000        0.0000000000000000        0.0000000000000000       -6285.0000000000000     
           1 knittle_95           1
 After comsub  0.89040822805742159     
           1 sinogeikinbass_00           1
 After kgpsub   171.19999999999999        4.0999999999999996     
           1 sinogeikinbass_02b           1
 After kgtsub  -7.0000000000000009     
 WARNING: Species not found in hugsub py  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            3         230
py     113.08   171.20   249.61     0.89   779.14     1.03    -7.00    93.70   117.66    -4.60   172.80     3.80     1.00 -5976.51     0.00     0.00
   0.000   0.000  20.000  25.000   0.000   0.000   1.000  20.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0001454.000 800.000 300.000 300.000 800.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 284.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 al  
           1 thieblotetal_98           1
           1 robiehemingway_95           1
 in cpsub   870.77552449196901     
 cpfac al     1.0000000000000000        501.11920677069708        870.77552449196901        0.0000000000000000        0.0000000000000000       -0.0000000000000000       -5264.6999999999998     
           1 zhangetal_99           1
 After comsub  0.90758624636660779     
           1 jiangetal_04           1
 After kgpsub   175.00000000000000        4.9000000000000004     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub al  
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubal  
 WARNING: Species not found in cijpsubal  
al     115.43   175.00   231.90     0.91   870.78     1.03     0.00    96.00   111.64     0.00   185.00     4.20     1.00 -4947.61     0.00     0.00
   0.000   0.000  12.000  22.000   0.000   0.000   1.000  12.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0001372.000   0.000 300.000 300.000 800.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 gr  
           1 thieblotetal_98           1
           1 thieblotetal_99           1
           2 haseltonwestrum_80           2
 in cpsub   779.43784033872362     
 cpfac gr     1.0000000000000000        493.11851128681781        779.43784033872362        0.0000000000000000        0.0000000000000000       -0.0000000000000000       -6640.0000000000000     
           1 paveseetal_01           1
 After comsub  0.86647305240058814     
           1 jiangetal_04           1
 After kgpsub   168.00000000000000        3.8999999999999999     
           1 andersonisaak_95           1
 After kgtsub  -15.200000000000017     
 WARNING: Species not found in hugsub gr  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            3         230
gr     125.12   168.00   213.42     0.87   779.44     1.03   -15.20   109.00   121.32   -13.50   169.30     5.92     1.00 -6327.99     0.00     0.00
   0.000   0.000  12.000  37.000   0.000   0.000   1.000  12.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0001462.0001300.000 300.000 300.0001300.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 mgmj
           1 wangetal_98           1
           1 robiehemingway_95           1
 in cpsub   779.13957380156353     
 cpfac mgmj   1.0000000000000000        490.92380256479271        779.13957380156353        0.0000000000000000        0.0000000000000000        0.0000000000000000       -6285.0000000000000     
           1 knittle_95           1
 After comsub  0.96694265086208653     
           1 sinogeikinbass_02a           1
 After kgpsub   166.00000000000000        4.2000000000000002     
           1 sinogeikinbass_02b           1
           2 higoetal_08           2
 After kgtsub  -7.1499999999999995     
 WARNING: Species not found in hugsub mgmj
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubmgmj
 WARNING: Species not found in cijpsubmgmj
mgmj   114.32   166.00   218.86     0.97   779.14     1.02    -7.15    85.00   102.24    -4.65   221.00     4.40     1.00 -5976.51     0.00     0.00
   0.000   0.000  13.000   8.000   0.000   0.000   1.000  13.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0001163.000 800.000 300.000 300.000 800.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 292.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 namj
           1 dymshitsetal_14           1
 WARNING: Species not found in cpsub namj
           1 dymshitsetal_14           1
 After comsub  0.90914184104363360     
           1 pacaloetal_92           1
 After kgpsub   173.50000000000000        0.0000000000000000     
           1 dymshitsetal_14           1
 After kgtsub  -31.579000000000001     
 WARNING: Species not found in hugsub namj
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubnamj
 WARNING: Species not found in cijpsubnamj
namj   110.84   173.50     0.00     0.91     0.00     1.05   -31.58   114.70     0.00     0.00   184.00     3.80     0.00     0.00     0.00     0.00
   0.000   0.000   0.000  21.000   0.000   0.000  -1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.0001673.0001673.000 300.000 300.0001673.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 qtz 
           1 ackermansorrell_74           1
           1 richetetal_82           1
 in cpsub   116.18901064263446     
 cpfac qtz    1.0000000000000000        61.801000000000002        116.18901064263446       -916.77056866811654       -916.77056866811654       -856.29999999999995       -910.70000000000005     
 WARNING: Species not found in comsub qtz 
 After comsub   0.0000000000000000     
           1 ohnoetal_06           1
           2 kimizukaetal_07           2
 After kgpsub   38.200000000000003        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub qtz 
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubqtz 
 WARNING: Species not found in cijpsubqtz 
qtz     22.69    38.20   122.60     0.00   116.19     1.05     0.00    44.90    50.67     0.00     0.00     0.00     1.00  -867.32  -916.77     0.00
   0.000   0.000  20.000   0.000   0.000   0.000   1.000  20.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 292.000   0.0001000.000 847.000   0.000 292.000 300.0001673.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 298.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 coes
           1 bourovaetal_06           1
 WARNING: Species not found in cpsub coes
 WARNING: Species not found in comsub coes
 After comsub   0.0000000000000000     
           1 chenetal_15           1
 After kgpsub   103.59999999999999        2.8999999999999999     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub coes
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubcoes
 WARNING: Species not found in cijpsubcoes
coes    20.66   103.60   137.51     0.00     0.00     1.01     0.00    61.60    64.10     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000  12.600   0.000   0.000   0.000   1.000  12.600   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.0001776.000   0.000 300.000 300.0001673.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 st  
           1 wangetal_12           1
 WARNING: Species not found in cpsub st  
           1 andraultetal_03           1
 After comsub  0.86922336915591214     
           1 jiangetal_09           1
           2 karkietal_97d           2
 After kgpsub   308.00000000000000        0.0000000000000000     
           1 wangetal_12           1
 WARNING: Adiabatic modulus at pressure?
 After kgtsub  -43.000000000000000     
 WARNING: Species not found in hugsub st  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            6         136
 WARNING: Species not found in cijpsubst  
st      14.02   308.00   673.40     0.87     0.00     1.02   -43.00   228.00   382.80     0.00   309.90     4.59     0.00     0.00     0.00     0.00
   0.000   0.000 100.000  60.000   0.000  20.000  20.000 100.000   0.000  20.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.0002000.0002000.000 300.000 300.0002000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.0001000.0001000.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 apbo
 WARNING: Species not found in cpsub apbo
           1 karkietal_97c           1
 After comsub  0.73016210296557071     
           1 karkietal_97d           1
 After kgpsub   695.00000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub apbo
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubapbo
 WARNING: Species not found in cijpsubapbo
apbo    13.67   695.00   831.00     0.73     0.00     0.00     0.00   368.00   412.00     0.00   293.10     4.22     0.00     0.00     0.00     0.00
   0.000   0.000 140.000 180.000   0.000  20.000  20.000 140.000   0.000  20.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.000   0.000   0.000 300.000 300.0002000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000 100.000   0.000   0.000   0.000   0.000 100.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.0001000.0001000.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 mgpv
           1 katsuraetal_09           1
 WARNING: # of alpha components does not match symmetr                                                            y           1
 WARNING: Species not found in cpsub mgpv
           1 shimduffy_00           1
           2 fiquetetal_00           2
 After comsub  0.79708543113662123     
           1 sinogeikinetal_04           1
           2 murakamietal_07a           2
 After kgpsub   253.00000000000000        0.0000000000000000     
           1 zhangetal_13b           1
 After kgtsub  -58.599999999999966     
 WARNING: Species not found in hugsub mgpv
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            9          62
 WARNING: Species not found in cijpsubmgpv
mgpv    24.45   253.00     0.00     0.80     0.00     1.04   -58.60   172.90   298.82   -39.70   251.00     4.12     0.00     0.00     0.00     0.00
   0.000   0.000  96.420  91.000   0.000  25.000 -36.800  96.420   0.000  36.800   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.0002000.0003500.000 300.000 300.0003500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 fepv
 WARNING: Species not found in cpsub fepv
           1 kieferetal_02           1
           2 dorfmanduffy_14           2
 After comsub  0.82000332592130032     
           1 kieferetal_02           1
           2 stackhouseetal_06a           2
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub fepv
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubfepv
 WARNING: Species not found in cijpsubfepv
fepv    25.32     0.00     0.00     0.82     0.00     0.00     0.00   138.00   272.00     0.00   270.58     4.01     0.00     0.00     0.00     0.00
   0.000   0.000 136.000  80.000   0.000  25.000  36.800 136.000   0.000  36.800   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000  -1.000 300.000   0.000   0.000   0.000  -1.000 300.0003500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 alpv
 WARNING: Species not found in cpsub alpv
           1 oganovono_05           1
           2 linetal_04           2
 After comsub  0.76468715449171010     
           1 duanetal_99           1
 After kgpsub   0.0000000000000000        0.0000000000000000     
           1 stackhouseetal_05a           1
 WARNING: Adiabatic modulus at pressure?
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub alpv
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubalpv
 WARNING: Species not found in cijpsubalpv
alpv    24.94     0.00     0.00     0.76     0.00     0.00     0.00   256.00   311.50   -58.00   242.40     4.10     0.00     0.00     0.00     0.00
   0.000   0.000 150.000 113.000   0.000  25.000 136.000 150.000   0.000 136.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.000   0.0004000.000 300.000 300.0004000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000  75.000   0.000   0.000   0.000   0.000  75.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000  -1.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 hepv
 WARNING: Species not found in cpsub hepv
           1 liuetal_18           1
 After comsub  0.81502650742468452     
 WARNING: Species not found in kgpsub hepv
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub hepv
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubhepv
 WARNING: Species not found in cijpsubhepv
hepv    30.87     0.00     0.00     0.82     0.00     0.00     0.00     0.00     0.00     0.00   135.00     4.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000  41.600   0.000  25.000 136.000   0.000   0.000 136.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.000   0.000   0.000 300.000 300.0004000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000  -1.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 hlpv
 WARNING: Species not found in cpsub hlpv
           1 This           1
 After comsub  0.74165715808301336     
 WARNING: Species not found in kgpsub hlpv
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub hlpv
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubhlpv
 WARNING: Species not found in cijpsubhlpv
hlpv    27.52     0.00     0.00     0.74     0.00     0.00     0.00     0.00     0.00     0.00   204.25     4.10     0.00     0.00     0.00     0.00
   0.000   0.000   0.000 113.000   0.000  25.000 136.000   0.000   0.000 136.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.000   0.000   0.000 300.000 300.0004000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000  -1.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 fapv
           1 This           1
 in cpsub   221.92965032961229     
 cpfac fapv   1.0000000000000000        142.07200000000000        221.92965032961229        0.0000000000000000        0.0000000000000000        0.0000000000000000       -1675.7000000000000     
           1 This           1
 After comsub  0.75377111960389365     
 WARNING: Species not found in kgpsub fapv
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub fapv
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubfapv
 WARNING: Species not found in cijpsubfapv
fapv    27.26     0.00     0.00     0.75   221.93     0.00     0.00     0.00     0.00     0.00   223.33     4.10     1.00 -1575.99     0.00     0.00
   0.000   0.000   0.000 113.000   0.000  25.000 136.000   0.000   0.000 136.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.000   0.000   0.000 300.000 300.0004000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000  -1.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 flpv
 WARNING: Species not found in cpsub flpv
           1 This           1
 After comsub  0.82000332592130032     
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub flpv
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubflpv
 WARNING: Species not found in cijpsubflpv
flpv    24.97     0.00     0.00     0.82     0.00     0.00     0.00   138.00   272.00     0.00   270.58     4.01     0.00     0.00     0.00     0.00
   0.000   0.000 136.000  80.000   0.000  25.000 136.000 136.000   0.000 136.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000  -1.000 300.000   0.000   0.000   0.000  -1.000 300.0004000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000  -1.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 mppv
           1 guignotetal_07           1
 WARNING: # of alpha components does not match symmetr                                                            y           1
 WARNING: Species not found in cpsub mppv
           1 sakaietal_16           1
 After comsub  0.66121419109776725     
           1 tsuchiyaetal_04b           1
           2 zhangetal_16a           2
 After kgpsub   0.0000000000000000        0.0000000000000000     
           1 zhangetal_16a           1
 WARNING: Adiabatic modulus at pressure?
 After kgtsub  -32.220000000000027     
 WARNING: Species not found in hugsub mppv
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubmppv
 WARNING: Species not found in cijpsubmppv
mppv    23.53     0.00     0.00     0.66     0.00     1.00   -32.22   323.00   402.50   -33.78   292.00     3.74     0.00     0.00     0.00     0.00
   0.000   0.000 150.000 260.000   0.000 130.000 125.000 150.000   0.000 125.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000  -1.000 300.000   0.0001651.0003500.000  -1.000 300.0003500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000  90.000   0.000   0.000   0.000   0.000  90.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.0001649.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 fppv
 WARNING: Species not found in cpsub fppv
 WARNING: Species not found in comsub fppv
 After comsub   0.0000000000000000     
           1 stackhouseetal_06b           1
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub fppv
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubfppv
 WARNING: Species not found in cijpsubfppv
fppv    24.65     0.00     0.00     0.00     0.00     0.00     0.00   129.50   261.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000 136.000   0.000   0.000 130.000 125.000 136.000   0.000 125.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.000   0.000   0.000 300.000 300.0003500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.0001649.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 appv
           1 stackhouseetal_05a           1
 WARNING: # of alpha components does not match symmetr                                                            y           1
 WARNING: Species not found in cpsub appv
           1 onoetal_06           1
 After comsub  0.70134632253622353     
           1 caracascohen_05b           1
 After kgpsub   0.0000000000000000        0.0000000000000000     
           1 stackhouseetal_05a           1
 WARNING: Adiabatic modulus at pressure?
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub appv
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubappv
 WARNING: Species not found in cijpsubappv
appv    23.85     0.00     0.00     0.70     0.00     1.05     0.00   194.00   380.00   -96.00   249.00     4.00     0.00     0.00     0.00     0.00
   0.000   0.000 180.000 180.000   0.000 136.000 136.000 180.000   0.000 136.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.0004000.0004000.000 300.000 300.0004000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000  60.000   0.000   0.000   0.000   0.000  60.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 298.000  -1.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 hppv
 WARNING: Species not found in cpsub hppv
           1 bykovaetal_16           1
 After comsub  0.78949427231651947     
 WARNING: Species not found in kgpsub hppv
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub hppv
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubhppv
 WARNING: Species not found in cijpsubhppv
hppv    27.69     0.00     0.00     0.79     0.00     0.00     0.00     0.00     0.00     0.00   176.50     4.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000  67.000   0.000 136.000 136.000   0.000   0.000 136.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.000   0.000   0.000 300.000 300.0004000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 298.000  -1.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 lppv
 WARNING: Species not found in cpsub lppv
           1 This           1
 After comsub  0.78949427231651947     
 WARNING: Species not found in kgpsub lppv
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub lppv
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsublppv
 WARNING: Species not found in cijpsublppv
lppv    26.25     0.00     0.00     0.79     0.00     0.00     0.00     0.00     0.00     0.00   176.50     4.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000  67.000   0.000 136.000 136.000   0.000   0.000 136.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.000   0.000   0.000 300.000 300.0004000.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 298.000  -1.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000   0.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0
 pe  
           1 fei_95           1
           1 robiehemingway_95           1
 in cpsub   82.206936747419832     
 cpfac pe     4.0000000000000000        50.869798644675186        82.206936747419832       -610.54321576676909       -610.54321576676909       -569.29999999999995       -601.60000000000002     
           1 dorogokupetsdewaele_07           1
 After comsub  0.60000112660808902     
           1 sinogeikinbass_00           1
           2 jacksonniesler_82           2
           3 murakamietal_09b           3
 After kgpsub   163.19999999999999        0.0000000000000000     
           1 andersonisaak_95           1
 After kgtsub  -24.200000000000017     
           1 duffyahrens_95           1
 After hugsub   169.00000000000000        5.3399999999999999     
 Number of elastic constants =            3         225
pe      44.98   163.20     0.00     0.60   328.83     1.04   -24.20   130.90   319.54   -30.50   160.30     3.93     4.00  -568.66  -610.54     5.34
   0.000   0.000 128.500 223.356   0.000   0.000   1.000 128.500   0.000   0.000   0.000   0.000   0.000   0.000   0.000 169.000
 300.000 300.000 300.000 300.0001000.0001273.0001500.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 303.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 wu  
           1 stolenetal_96           1
           2 robiehemingway_95           2
 WARNING: Cp T less than standard
 in cpsub   81.042583081520519     
 cpfac wu     4.0000000000000000        49.659999999999997        81.042583081520519        0.0000000000000000        0.0000000000000000       -0.0000000000000000       -272.00000000000000     
           1 solomatovaetal_16           1
 After comsub  0.79788381071725556     
           1 jacobsenetal_02           1
           2 marquardtetal_09           2
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub wu  
 After hugsub   0.0000000000000000        0.0000000000000000     
 Number of elastic constants =            3         225
 WARNING: Species not found in cijpsubwu  
wu      49.02     0.00     0.00     0.80   324.17     0.00     0.00    59.00    63.29     0.00   160.70     4.00     4.00  -264.46     0.00     0.00
   0.000   0.000   3.000  57.050   0.000   0.000   1.000   3.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 450.000   0.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 303.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 wuls
 WARNING: Species not found in cpsub wuls
           1 solomatovaetal_16           1
 After comsub  0.71810221265399876     
           1 jacobsenetal_02           1
           2 marquardtetal_09           2
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub wuls
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubwuls
 WARNING: Species not found in cijpsubwuls
wuls    43.40     0.00     0.00     0.72     0.00     0.00     0.00    59.00    63.29     0.00   199.70     4.00     0.00     0.00     0.00     0.00
   0.000   0.000   3.000 128.500   0.000   0.000   1.000   3.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.000   0.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 303.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 anao
 WARNING: Species not found in cpsub anao
 WARNING: Species not found in comsub anao
 After comsub   0.0000000000000000     
 WARNING: Species not found in kgpsub anao
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub anao
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubanao
 WARNING: Species not found in cijpsubanao
anao    45.42     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.000   0.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 303.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 mag 
           1 levyetal_04           1
           1 robiehemingway_95           1
 in cpsub   391.07240213570174     
 cpfac mag    1.0000000000000000        202.43000000000001        391.07240213570174        0.0000000000000000        0.0000000000000000        0.0000000000000000       -1115.7000000000000     
 WARNING: Species not found in comsub mag 
 After comsub   0.0000000000000000     
           1 reichmannjacobsen_04           1
 After kgpsub   185.69999999999999        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub mag 
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubmag 
 WARNING: Species not found in cijpsubmag 
mag     44.53   185.70   226.50     0.00   391.07     1.02     0.00    60.30    59.50     0.00     0.00     0.00     1.00  -973.62     0.00     0.00
   0.000   0.000   8.000   0.000   0.000   0.000   1.000   8.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.0001000.0001073.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 298.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 mgcf
           1 skinner_66           1
           2 thiswork           2
 WARNING: # of alpha components does not match symmetr                                                            y           1
 WARNING: Species not found in cpsub mgcf
           1 suedaetal_09           1
           2 imadaetal_12           2
 After comsub  0.86410982866880326     
           1 daietal_13           1
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub mgcf
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubmgcf
 WARNING: Species not found in cijpsubmgcf
mgcf    36.13     0.00     0.00     0.86     0.00     1.02     0.00   129.70   249.81     0.00   213.00     4.10     0.00     0.00     0.00     0.00
   0.000   0.000  73.900  42.000   0.000   0.000   1.000  73.900   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.0001000.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 fecf
 WARNING: Species not found in cpsub fecf
 WARNING: Species not found in comsub fecf
 After comsub   0.0000000000000000     
 WARNING: Species not found in kgpsub fecf
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub fecf
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubfecf
 WARNING: Species not found in cijpsubfecf
fecf    37.22     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.000   0.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 nacf
 WARNING: Species not found in cpsub nacf
           1 dubrovinskyetal_02           1
 After comsub  0.87182744952642843     
           1 mookherjee_11           1
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub nacf
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubnacf
 WARNING: Species not found in cijpsubnacf
nacf    36.27     0.00     0.00     0.87     0.00     0.00     0.00   143.00     0.00     0.00   220.00     4.10     0.00     0.00     0.00     0.00
   0.000   0.000 150.000  40.000   0.000   0.000   1.000 150.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000  -1.000 300.000   0.000   0.000   0.000  -1.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000  -0.100   0.000   0.000   0.000   0.000  -0.100   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 hmag
 WARNING: Species not found in cpsub hmag
           1 ricolleaufei_16           1
 After comsub  0.83378980816493531     
 WARNING: Species not found in kgpsub hmag
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub hmag
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubhmag
 WARNING: Species not found in cijpsubhmag
hmag    41.70     0.00     0.00     0.83     0.00     0.00     0.00     0.00     0.00     0.00   172.00     4.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000  45.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000  -1.000 300.000   0.000   0.000   0.000  -1.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 293.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 mnal
           1 shinmeietal_05           1
 WARNING: Species not found in cpsub mnal
           1 imadaetal_12           1
 After comsub  0.88838248849857349     
           1 daietal_13           1
           2 pamatoetal_14           2
 After kgpsub   206.00000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub mnal
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubmnal
 WARNING: Species not found in cijpsubmnal
mnal   109.88   206.00     0.00     0.89     0.00     1.06     0.00   129.00   186.72     0.00   208.00     4.00     0.00     0.00     0.00     0.00
   0.000   0.000  38.400  31.200   0.000   0.000   1.000  38.400   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000   0.0001900.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 fnal
 WARNING: Species not found in cpsub fnal
 WARNING: Species not found in comsub fnal
 After comsub   0.0000000000000000     
 WARNING: Species not found in kgpsub fnal
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub fnal
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubfnal
 WARNING: Species not found in cijpsubfnal
fnal   112.05     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.000   0.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 nnal
 WARNING: Species not found in cpsub nnal
 WARNING: Species not found in comsub nnal
 After comsub   0.0000000000000000     
 WARNING: Species not found in kgpsub nnal
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub nnal
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubnnal
 WARNING: Species not found in cijpsubnnal
nnal   109.40     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.000   0.000   0.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 ky  
           1 gattaetal_06           1
           1 hemingwayetal_91           1
 in cpsub   285.05070949662513     
 cpfac ky     1.0000000000000000        197.86321524810512        285.05070949662513        0.0000000000000000        0.0000000000000000       -0.0000000000000000       -2593.8000000000002     
           1 comodietal_97           1
 After comsub  0.96775294147372570     
 WARNING: Species not found in kgpsub ky  
 After kgpsub   0.0000000000000000        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub ky  
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubky  
 WARNING: Species not found in cijpsubky  
ky      44.23     0.00     0.00     0.97   285.05     1.02     0.00     0.00     0.00     0.00   160.00     4.00     1.00 -2471.49     0.00     0.00
   0.000   0.000   0.000   5.600   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001000.0001223.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 296.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 neph
           1 hovisetal_03           1
           1 robiehemingway_95           1
 in cpsub   300.41886124125813     
 cpfac neph   1.0000000000000000        172.92510597188749        300.41886124125813        0.0000000000000000        0.0000000000000000       -0.0000000000000000       -2090.4000000000001     
 WARNING: Species not found in comsub neph
 After comsub   0.0000000000000000     
           1 bass_95           1
 After kgpsub   48.899999999999999        0.0000000000000000     
 After kgtsub   0.0000000000000000     
 WARNING: Species not found in hugsub neph
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubneph
 WARNING: Species not found in cijpsubneph
neph    54.19    48.90     0.00     0.00   300.42     1.06     0.00    30.70     0.00     0.00     0.00     0.00     1.00 -1983.99     0.00     0.00
   0.000   0.000   0.000   0.000   0.000   0.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000   0.0001000.0001423.000   0.000 300.000 300.0001500.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 298.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 fea 
           1 basinskietal_55           1
           1 robiehemingway_95           1
 in cpsub   75.109502779449457     
 cpfac fea    1.0000000000000000        63.962744999999998        75.109502779449457       -45.384228582323267       -45.384228582323267        1.0000000000000000E-004   0.0000000000000000     
           1 wilburnbassett_78           1
 After comsub  0.94680851476072625     
           1 adamsetal_06           1
           2 rottersmith_66           2
 After kgpsub   166.16999999999999        5.9699999999999998     
           1 This           1
 After kgtsub  -33.500000000000000     
 WARNING: Species not found in hugsub fea 
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubfea 
 WARNING: Species not found in cijpsubfea 
fea      7.09   166.17   172.11     0.95    75.11     1.07   -33.50    81.47    83.36   -39.92   164.00     4.00     1.00    35.50   -45.38     0.00
   0.000   0.000   1.000  10.000   0.000   0.000   1.000   1.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.0001185.0001662.0001428.000 300.000 300.0001428.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 feg 
           1 basinskietal_55           1
 WARNING: Species not found in cpsub feg 
           1 This           1
 After comsub  0.68048552204287893     
           1 This           1
 After kgpsub   0.0000000000000000        0.0000000000000000     
           1 zaretskystassis_87           1
 After kgtsub  -35.520000000000010     
 WARNING: Species not found in hugsub feg 
 After hugsub   0.0000000000000000        0.0000000000000000     
 WARNING: Species not found in cijsubfeg 
 WARNING: Species not found in cijpsubfeg 
feg      7.30     0.00     0.00     0.68     0.00     1.03   -35.52    91.00   360.00   -49.45   165.00     5.97     0.00     0.00     0.00     0.00
   0.000   0.000 152.000 197.000   0.000   0.000   1.000 152.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
1189.000 300.000 300.000 300.000   0.0001661.0001428.000 300.000 300.0001428.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.0001189.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        48
 fee 
 WARNING: Species not found in cpsub fee 
           1 dewaeleetal_06           1
 After comsub  0.65833493878123461     
           1 antonangeliohtani_15           1
 After kgpsub   0.0000000000000000        0.0000000000000000     
           1 This           1
 After kgtsub  -35.520000000000010     
           1 brownmcqueen_86           1
 After hugsub   200.00000000000000        11.940000000000000     
 WARNING: Species not found in cijsubfee 
 WARNING: Species not found in cijpsubfee 
fee      6.77     0.00     0.00     0.66     0.00     0.00   -35.52    91.00   360.00   -49.45   165.00     4.97     0.00     0.00     0.00    11.94
   0.000   0.000 152.000 197.000   0.000   0.000   1.000 152.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000 200.000
 300.000 300.000 300.000 300.000   0.000   0.0001428.000 300.000 300.0001428.000 300.000 300.000 300.000 300.000 300.000 300.000
   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
 300.000 300.000 300.000 300.000 300.0001189.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000 300.000
         0         0         0         0         0         0         0         0         0         0         0         0         0         0         0        62
           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1           1
           0           1           1           1           0           0           1           1           1           1           0           1           1           1           0           0           1           0           0           1           1           1           1           1           0           0           0           0           0           0           1           0           1           1           1           1           1           1           1           1           0           1           1           1           1           1           1           0           0           1           1           0           1           1           1           1           1           1           1           0           0           0           1           1
           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           0           1           0           0           0           0           0           0           0           0           0
 All Shear data
an       3.79857     2.76524    21.40085
ab       3.71360     2.61043    20.17100
sp       5.51944     3.57796    20.32386
hc       4.45605     4.25556    24.83000
fo       5.02880     3.22673    20.09929
fa       3.41103     4.40218    29.11100
mgwa     5.67907     3.47266    20.09929
fewa     3.88875     4.76114    29.11100
mgri     5.87593     3.56248    20.09900
feri     4.34726     4.86806    29.11100
en       4.89637     3.20342    20.07774
fs       3.60489     4.00148    26.38614
di       4.70856     3.27913    21.65504
he       4.08496     3.65557    24.80924
jd       5.04419     3.34069    20.21387
capv     6.24421     4.23184    23.23280
mgil     5.88664     3.80925    20.07780
co       6.39835     3.98643    20.39220
hem      4.15444     5.27251    31.93770
py       5.12673     3.56500    20.15650
al       4.71829     4.31222    24.88800
gr       5.50242     3.60014    22.52245
mgmj     4.91930     3.51247    20.07800
namj     5.61876     3.63314    20.13522
qtz      4.09325     2.67985    20.02833
coes     4.60194     2.90870    20.02833
st       7.29310     4.28658    20.02833
mgpv     6.48858     4.10673    20.07780
fepv     5.14644     5.21034    26.38620
flpv     5.11064     5.28358    26.38620
fppv     4.91911     5.35176    26.38620
pe       6.04302     3.58453    20.15223
wu       3.17251     5.86199    35.92228
wuls     2.98499     6.62166    35.92228
mag      3.40540     5.19972    33.07615
mgcf     5.73962     3.93707    20.32371
mnal     5.76444     3.88218    20.31361
neph     3.41200     2.63706    20.29347
 Fit to all shear data: Vs = a + b*rho + c*wmean
     8.04435     1.39461    -0.37211
     6.94323     0.42745          38
 After Vs if block          31
 After Vb if block
 w=20 Shear data
ab       3.71360     2.61043    20.17100
sp       5.51944     3.57796    20.32386
fo       5.02880     3.22673    20.09929
mgwa     5.67907     3.47266    20.09929
mgri     5.87593     3.56248    20.09900
en       4.89637     3.20342    20.07774
jd       5.04419     3.34069    20.21387
mgil     5.88664     3.80925    20.07780
co       6.39835     3.98643    20.39220
py       5.12673     3.56500    20.15650
mgmj     4.91930     3.51247    20.07800
namj     5.61876     3.63314    20.13522
qtz      4.09325     2.67985    20.02833
coes     4.60194     2.90870    20.02833
st       7.29310     4.28658    20.02833
mgpv     6.48858     4.10673    20.07780
pe       6.04302     3.58453    20.15223
mgcf     5.73962     3.93707    20.32371
mnal     5.76444     3.88218    20.31361
neph     3.41200     2.63706    20.29347
 Fit to w=20 shear data (fixed c): Vs = a + b*rho + c*wmean
     6.36956     1.86665    -0.37211
     1.55574     0.27890          20
 Compare w=20 fit to all data
an       2.76524     3.79857     3.56780    39.90000    35.19935    21.40085
ab       2.61043     3.71360     3.73646    36.00000    36.44464    20.17100
sp       3.57796     5.51944     5.48563   109.00000   107.66867    20.32386
hc       4.25556     4.45605     5.07369    84.50000   109.54806    24.83000
fo       3.22673     5.02880     4.91356    81.60000    77.90316    20.09929
fa       4.40218     3.41103     3.75436    51.22000    62.04982    29.11100
mgwa     3.47266     5.67907     5.37264   112.00000   100.23938    20.09929
fewa     4.76114     3.88875     4.42442    72.00000    93.20185    29.11100
mgri     3.56248     5.87593     5.54040   123.00000   109.35399    20.09900
feri     4.86806     4.34726     4.62400    92.00000   104.08566    29.11100
en       3.20342     4.89637     4.87807    76.80000    76.22705    20.07774
fs       4.00148     3.60489     4.02034    52.00000    64.67635    26.38614
di       3.27913     4.70856     4.43246    72.70000    64.42414    21.65504
he       3.65557     4.08496     3.96143    61.00000    57.36650    24.80924
jd       3.34069     5.04419     5.08366    85.00000    86.33551    20.21387
capv     4.23184     6.24421     5.62374   165.00000   133.83808    23.23280
mgil     3.80925     5.88664     6.00893   132.00000   137.54135    20.07780
co       3.98643     6.39835     6.22267   163.20000   154.36123    20.39220
hem      5.27251     4.15444     4.32711    91.00000    98.72207    31.93770
py       3.56500     5.12673     5.52371    93.70000   108.77281    20.15650
al       4.31222     4.71829     5.15787    96.00000   114.72079    24.88800
gr       3.60014     5.50242     4.70890   109.00000    79.82839    22.52245
mgmj     3.51247     4.91930     5.45487    85.00000   104.51579    20.07800
namj     3.63314     5.61876     5.65882   114.70000   116.34123    20.13522
qtz      2.67985     4.09325     3.91913    44.90000    41.16131    20.02833
coes     2.90870     4.60194     4.34632    61.60000    54.94665    20.02833
st       4.28658     7.29310     6.91834   228.00000   205.17055    20.02833
mgpv     4.10673     6.48858     6.56421   172.90000   176.95452    20.07780
fepv     5.21034     5.14644     6.27684   138.00000   205.28086    26.38620
flpv     5.28358     5.11064     6.41356   138.00000   217.33335    26.38620
fppv     5.35176     4.91911     6.54082   129.50000   228.96079    26.38620
pe       3.58453     6.04302     5.56175   130.90000   110.88066    20.15223
wu       5.86199     3.17251     3.94476    59.00000    91.21936    35.92228
wuls     6.62166     2.98499     5.36281    59.00000   190.43727    35.92228
mag      5.19972     3.40540     3.76761    60.30000    73.80932    33.07615
mgcf     3.93707     5.73962     6.15601   129.70000   149.20103    20.32371
mnal     3.88218     5.76444     6.05732   129.00000   142.44140    20.31361
neph     2.63706     3.41200     3.74060    30.70000    36.89803    20.29347
     6.36956     1.86665    -0.37211
 45704.05663    34.68052          38
    15.96063     0.64809          38
  
 Phase Equilibria Data
 x1 fo                                                                                                                                  12.600000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 fo                                                                                                                                  14.100000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 fo                                                                                                                                  14.600000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 fo                                                                                                                                  15.000000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 fo                                                                                                                                  15.000000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 fo                                                                                                                                  13.500000000000000        1473.0000000000000       katsuraito_89                                                                                                                      
 x1 fo                                                                                                                                  13.900000000000000        1473.0000000000000       katsuraito_89                                                                                                                      
 1 fo                                                                                                                                   12.000000000000000        1063.0000000000000      morishimaetal_94                                                                                                                    
    8    1 1 fo                                                                                                                                    12.000    1063.0 morishimaetal_94                        F
 1 fo                                                                                                                                   12.500000000000000        1277.0000000000000      morishimaetal_94                                                                                                                    
    9    2 1 fo                                                                                                                                    12.500    1277.0 morishimaetal_94                        F
 1 fo                                                                                                                                   13.300000000000001        1447.0000000000000      morishimaetal_94                                                                                                                    
   10    3 1 fo                                                                                                                                    13.300    1447.0 morishimaetal_94                        F
 1 fo                                                                                                                                   13.900000000000000        1876.0000000000000      morishimaetal_94                                                                                                                    
   11    4 1 fo                                                                                                                                    13.900    1876.0 morishimaetal_94                        F
 x1 fo                                                                                                                                  9.6999999999999993        2333.0000000000000       presnalletal_98                                                                                                                    
 x1 fo                                                                                                                                  10.600000000000000        2353.0000000000000       presnalletal_98                                                                                                                    
 x1 fo                                                                                                                                  11.800000000000001        2373.0000000000000       presnalletal_98                                                                                                                    
 x1 fo                                                                                                                                  12.800000000000001        2418.0000000000000       presnalletal_98                                                                                                                    
 x1 fo                                                                                                                                  13.900000000000000        2373.0000000000000       presnalletal_98                                                                                                                    
 x1 fo                                                                                                                                  14.900000000000000        2443.0000000000000       presnalletal_98                                                                                                                    
 x1 fo                                                                                                                                  14.900000000000000        2443.0000000000000       presnalletal_98                                                                                                                    
 x1 mgwa                                                                                                                                19.199999999999999        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 mgwa                                                                                                                                19.600000000000001        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 mgwa                                                                                                                                17.800000000000001        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 mgwa                                                                                                                                19.899999999999999        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 mgwa                                                                                                                                14.600000000000000        1473.0000000000000       katsuraito_89                                                                                                                      
 x1 mgwa                                                                                                                                15.699999999999999        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 mgwa                                                                                                                                15.000000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 mgwa                                                                                                                                15.300000000000001        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 mgwa                                                                                                                                14.400000000000000        1473.0000000000000       katsuraito_89                                                                                                                      
 x1 mgwa                                                                                                                                17.300000000000001        1473.0000000000000       katsuraito_89                                                                                                                      
 x1 mgwa                                                                                                                                18.600000000000001        1473.0000000000000       katsuraito_89                                                                                                                      
 1 mgwa                                                                                                                                 14.880000000000001        1373.0000000000000      suzukietal_00b                                                                                                                      
   30    5 1 mgwa                                                                                                                                  14.880    1373.0 suzukietal_00b                          F
 1 mgwa                                                                                                                                 14.949999999999999        1173.0000000000000      suzukietal_00b                                                                                                                      
   31    6 1 mgwa                                                                                                                                  14.950    1173.0 suzukietal_00b                          F
 1 mgwa                                                                                                                                 15.010000000000000        1148.0000000000000      suzukietal_00b                                                                                                                      
   32    7 1 mgwa                                                                                                                                  15.010    1148.0 suzukietal_00b                          F
 1 mgwa                                                                                                                                 15.320000000000000        1023.0000000000000      suzukietal_00b                                                                                                                      
   33    8 1 mgwa                                                                                                                                  15.320    1023.0 suzukietal_00b                          F
 1 mgwa                                                                                                                                 15.830000000000000        1373.0000000000000      suzukietal_00b                                                                                                                      
   34    9 1 mgwa                                                                                                                                  15.830    1373.0 suzukietal_00b                          F
 1 mgwa                                                                                                                                 15.880000000000001        1258.0000000000000      suzukietal_00b                                                                                                                      
   35   10 1 mgwa                                                                                                                                  15.880    1258.0 suzukietal_00b                          F
 1 mgwa                                                                                                                                 16.300000000000001        1153.0000000000000      suzukietal_00b                                                                                                                      
   36   11 1 mgwa                                                                                                                                  16.300    1153.0 suzukietal_00b                          F
 1 mgwa                                                                                                                                 16.590000000000000        1473.0000000000000      suzukietal_00b                                                                                                                      
   37   12 1 mgwa                                                                                                                                  16.590    1473.0 suzukietal_00b                          F
 1 mgwa                                                                                                                                 17.109999999999999        1323.0000000000000      suzukietal_00b                                                                                                                      
   38   13 1 mgwa                                                                                                                                  17.110    1323.0 suzukietal_00b                          F
 1 mgwa                                                                                                                                 17.879999999999999        1473.0000000000000      suzukietal_00b                                                                                                                      
   39   14 1 mgwa                                                                                                                                  17.880    1473.0 suzukietal_00b                          F
 1 mgwa                                                                                                                                 18.079999999999998        1773.0000000000000      suzukietal_00b                                                                                                                      
   40   15 1 mgwa                                                                                                                                  18.080    1773.0 suzukietal_00b                          F
 x1 mgwa                                                                                                                                21.899999999999999        2323.0000000000000       gasparik_90                                                                                                                        
 x1 mgwa                                                                                                                                21.899999999999999        2123.0000000000000       gasparik_90                                                                                                                        
 x1 mgwa                                                                                                                                22.399999999999999        2703.0000000000000       gasparik_90                                                                                                                        
 x1 mgwa                                                                                                                                22.399999999999999        2653.0000000000000       gasparik_90                                                                                                                        
 x1 mgwa                                                                                                                                22.399999999999999        2503.0000000000000       gasparik_90                                                                                                                        
 x1 mgwa                                                                                                                                22.600000000000001        2573.0000000000000       gasparik_90                                                                                                                        
 x1 mgwa                                                                                                                                20.800000000000001        2300.0000000000000       chudinovskikhboehler_01                                                                                                            
 1 mgwa                                                                                                                                 12.100000000000000        1025.0000000000000      morishimaetal_94                                                                                                                    
   48   16 1 mgwa                                                                                                                                  12.100    1025.0 morishimaetal_94                        F
 1 mgwa                                                                                                                                 12.699999999999999        1176.0000000000000      morishimaetal_94                                                                                                                    
   49   17 1 mgwa                                                                                                                                  12.700    1176.0 morishimaetal_94                        F
 1 mgwa                                                                                                                                 14.000000000000000        1523.0000000000000      morishimaetal_94                                                                                                                    
   50   18 1 mgwa                                                                                                                                  14.000    1523.0 morishimaetal_94                        F
 1 mgwa                                                                                                                                 14.300000000000001        1624.0000000000000      morishimaetal_94                                                                                                                    
   51   19 1 mgwa                                                                                                                                  14.300    1624.0 morishimaetal_94                        F
 x1 fo                                                                                                                                  14.340000000000000        1673.0000000000000       morishimaetal_94                                                                                                                   
 x1 mgwa                                                                                                                                14.340000000000000        1673.0000000000000       morishimaetal_94                                                                                                                   
 1 mgwa                                                                                                                                 21.559999999999999        2173.0000000000000      feietal_04a                                                                                                                         
   54   20 1 mgwa                                                                                                                                  21.560    2173.0 feietal_04a                             F
 1 mgwa                                                                                                                                 22.460000000000001        2173.0000000000000      feietal_04a                                                                                                                         
   55   21 1 mgwa                                                                                                                                  22.460    2173.0 feietal_04a                             F
 x1 mgwa                                                                                                                                22.820000000000000        2173.0000000000000       feietal_04a  This is an error.  Entered                                                                                            
 x1 mgri                                                                                                                                20.800000000000001        1873.0000000000000       katsuraito_89                                                                                                                      
 x1 mgri                                                                                                                                19.199999999999999        1473.0000000000000       katsuraito_89                                                                                                                      
 x1 mgri                                                                                                                                24.500000000000000        1273.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgri                                                                                                                                24.199999999999999        1373.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgri                                                                                                                                23.500000000000000        1473.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgri                                                                                                                                22.800000000000001        1873.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgri                                                                                                                                22.800000000000001        1873.0000000000000       itotakahashi_89                                                                                                                    
 1 mgri                                                                                                                                 14.980000000000000        923.00000000000000      suzukietal_00b                                                                                                                      
   64   22 1 mgri                                                                                                                                  14.980     923.0 suzukietal_00b                          F
 1 mgri                                                                                                                                 15.320000000000000        923.00000000000000      suzukietal_00b                                                                                                                      
   65   23 1 mgri                                                                                                                                  15.320     923.0 suzukietal_00b                          F
 1 mgri                                                                                                                                 16.300000000000001        1073.0000000000000      suzukietal_00b                                                                                                                      
   66   24 1 mgri                                                                                                                                  16.300    1073.0 suzukietal_00b                          F
 1 mgri                                                                                                                                 16.370000000000001        973.00000000000000      suzukietal_00b                                                                                                                      
   67   25 1 mgri                                                                                                                                  16.370     973.0 suzukietal_00b                          F
 1 mgri                                                                                                                                 17.260000000000002        1173.0000000000000      suzukietal_00b                                                                                                                      
   68   26 1 mgri                                                                                                                                  17.260    1173.0 suzukietal_00b                          F
 1 mgri                                                                                                                                 17.370000000000001        1273.0000000000000      suzukietal_00b                                                                                                                      
   69   27 1 mgri                                                                                                                                  17.370    1273.0 suzukietal_00b                          F
 1 mgri                                                                                                                                 18.260000000000002        1073.0000000000000      suzukietal_00b                                                                                                                      
   70   28 1 mgri                                                                                                                                  18.260    1073.0 suzukietal_00b                          F
 1 mgri                                                                                                                                 18.910000000000000        1203.0000000000000      suzukietal_00b                                                                                                                      
   71   29 1 mgri                                                                                                                                  18.910    1203.0 suzukietal_00b                          F
 1 mgri                                                                                                                                 19.500000000000000        973.00000000000000      suzukietal_00b                                                                                                                      
   72   30 1 mgri                                                                                                                                  19.500     973.0 suzukietal_00b                          F
 x1 mgri                                                                                                                                22.800000000000001        1969.0000000000000       shimetal_01                                                                                                                        
 x1 mgri                                                                                                                                22.300000000000001        1942.0000000000000       shimetal_01                                                                                                                        
 x1 mgri                                                                                                                                22.699999999999999        1756.0000000000000       shimetal_01                                                                                                                        
 x1 mgri                                                                                                                                22.800000000000001        1969.0000000000000       shimetal_01                                                                                                                        
 x1 mgri                                                                                                                                23.399999999999999        1800.0000000000000       chudinovskikhboehler_01                                                                                                            
 x1 mgri                                                                                                                                23.100000000000001        1673.0000000000000       irifuneetal_98 (1,2) (21.3)                                                                                                        
 x1 mgri                                                                                                                                22.500000000000000        1842.0000000000000       irifuneetal_98 (1,2) (20.6)                                                                                                        
 x1 mgri                                                                                                                                22.600000000000001        2054.0000000000000       irifuneetal_98 (1,2) (20.4)                                                                                                        
 x1 mgri                                                                                                                                23.430000000000000        1673.0000000000000       feietal_04a                                                                                                                        
 x1 mgri                                                                                                                                22.129999999999999        1873.0000000000000       feietal_04a                                                                                                                        
 x1 mgri                                                                                                                                22.129999999999999        1873.0000000000000       feietal_04a                                                                                                                        
 x1 mgri                                                                                                                                22.660000000000000        1873.0000000000000       feietal_04a                                                                                                                        
 x1 mgri                                                                                                                                22.410000000000000        1873.0000000000000       feietal_04a                                                                                                                        
 x1 mgri                                                                                                                                22.600000000000001        2023.0000000000000       feietal_04a                                                                                                                        
 x1 mgri                                                                                                                                22.820000000000000        2173.0000000000000       feietal_04a                                                                                                                        
 1 mgri                                                                                                                                 22.489999999999998        2383.0000000000000      yeetal_17                                                                                                                           
   88   31 1 mgri                                                                                                                                  22.490    2383.0 yeetal_17                               F
 1 mgri                                                                                                                                 24.609999999999999        1544.0000000000000      yeetal_17                                                                                                                           
   89   32 1 mgri                                                                                                                                  24.610    1544.0 yeetal_17                               F
 x2 mgpv + 1 pe                                                                                                                         25.000000000000000        1273.0000000000000       itotakahashi_89                                                                                                                    
 x2 mgpv + 1 pe                                                                                                                         25.000000000000000        1373.0000000000000       itotakahashi_89                                                                                                                    
 x2 mgpv + 1 pe                                                                                                                         24.800000000000001        1373.0000000000000       itotakahashi_89                                                                                                                    
 x2 mgpv + 1 pe                                                                                                                         24.800000000000001        1573.0000000000000       itotakahashi_89                                                                                                                    
 x2 mgpv + 1 pe                                                                                                                         24.500000000000000        1573.0000000000000       itotakahashi_89                                                                                                                    
 x2 mgpv + 1 pe                                                                                                                         24.500000000000000        1873.0000000000000       itotakahashi_89                                                                                                                    
 x2 mgpv + 1 pe                                                                                                                         24.100000000000001        1873.0000000000000       itotakahashi_89                                                                                                                    
 x2 mgpv + 1 pe                                                                                                                         22.600000000000001        2323.0000000000000       gasparik_90                                                                                                                        
 x2 mgpv + 1 pe                                                                                                                         22.600000000000001        2123.0000000000000       gasparik_90                                                                                                                        
 x2 mgpv + 1 pe                                                                                                                         27.000000000000000        1600.0000000000000       shimetal_01                                                                                                                        
 x2 mgpv + 1 pe                                                                                                                         23.000000000000000        1924.0000000000000       irifuneetal_98 (1,2) (21.0)                                                                                                        
 x4 mgpv + 1 pe                                                                                                                         24.559999999999999        1673.0000000000000       feietal_04a                                                                                                                        
 x4 mgpv + 1 pe                                                                                                                         23.430000000000000        1673.0000000000000       feietal_04a                                                                                                                        
 x4 mgpv + 1 pe                                                                                                                         23.059999999999999        1873.0000000000000       feietal_04a                                                                                                                        
 x4 mgpv + 1 pe                                                                                                                         25.559999999999999        1873.0000000000000       feietal_04a                                                                                                                        
 x4 mgpv + 1 pe                                                                                                                         23.000000000000000        2023.0000000000000       feietal_04a                                                                                                                        
 x4 mgpv + 1 pe                                                                                                                         22.820000000000000        2173.0000000000000       feietal_04a                                                                                                                        
 4 mgpv + 1 pe                                                                                                                          22.489999999999998        2383.0000000000000      yeetal_17                                                                                                                           
  107   33 4 mgpv + 1 pe                                                                                                                           22.490    2383.0 yeetal_17                               F
 4 mgpv + 1 pe                                                                                                                          24.609999999999999        1544.0000000000000      yeetal_17                                                                                                                           
  108   34 4 mgpv + 1 pe                                                                                                                           24.610    1544.0 yeetal_17                               F
 1 en                                                                                                                                   0.0000000000000000        823.00000000000000      grover_72                                                                                                                           
  109   35 1 en                                                                                                                                     0.000     823.0 grover_72                               F
 1 en                                                                                                                                   0.0000000000000000        1360.0000000000000      yangghose_95                                                                                                                        
  110   36 1 en                                                                                                                                     0.000    1360.0 yangghose_95                            F
 1 en                                                                                                                                  0.82999999999999996        1823.0000000000000      boydetal_64                                                                                                                         
  111   37 1 en                                                                                                                                     0.830    1823.0 boydetal_64                             F
 1 en                                                                                                                                   8.6999999999999993        1573.0000000000000      pacalogasparik_90                                                                                                                   
  112   38 1 en                                                                                                                                     8.700    1573.0 pacalogasparik_90                       F
 1 en                                                                                                                                   8.1999999999999993        1373.0000000000000      pacalogasparik_90                                                                                                                   
  113   39 1 en                                                                                                                                     8.200    1373.0 pacalogasparik_90                       F
 1 en                                                                                                                                   10.300000000000001        1973.0000000000000      pacalogasparik_90                                                                                                                   
  114   40 1 en                                                                                                                                    10.300    1973.0 pacalogasparik_90                       F
 1 en                                                                                                                                   7.7000000000000002        1273.0000000000000      pacalogasparik_90                                                                                                                   
  115   41 1 en                                                                                                                                     7.700    1273.0 pacalogasparik_90                       F
 1 en                                                                                                                                   7.7000000000000002        1573.0000000000000      pacalogasparik_90                                                                                                                   
  116   42 1 en                                                                                                                                     7.700    1573.0 pacalogasparik_90                       F
 1 en                                                                                                                                   9.6999999999999993        2333.0000000000000      presnalletal_98                                                                                                                     
  117   43 1 en                                                                                                                                     9.700    2333.0 presnalletal_98                         F
 1 en                                                                                                                                   9.6999999999999993        2333.0000000000000      presnalletal_98                                                                                                                     
  118   44 1 en                                                                                                                                     9.700    2333.0 presnalletal_98                         F
 1 en                                                                                                                                   10.600000000000000        2353.0000000000000      presnalletal_98                                                                                                                     
  119   45 1 en                                                                                                                                    10.600    2353.0 presnalletal_98                         F
 x1 mgc2                                                                                                                                16.600000000000001        1923.0000000000000       gasparik_90 (4)                                                                                                                    
 1 mgc2                                                                                                                                 14.199999999999999        1473.0000000000000      pacalogasparik_90                                                                                                                   
  121   46 1 mgc2                                                                                                                                  14.200    1473.0 pacalogasparik_90                       F
 1 mgc2                                                                                                                                 10.000000000000000        1573.0000000000000      pacalogasparik_90                                                                                                                   
  122   47 1 mgc2                                                                                                                                  10.000    1573.0 pacalogasparik_90                       F
 1 mgc2                                                                                                                                 9.4000000000000004        1573.0000000000000      pacalogasparik_90                                                                                                                   
  123   48 1 mgc2                                                                                                                                   9.400    1573.0 pacalogasparik_90                       F
 1 mgc2                                                                                                                                 8.6999999999999993        1373.0000000000000      pacalogasparik_90                                                                                                                   
  124   49 1 mgc2                                                                                                                                   8.700    1373.0 pacalogasparik_90                       F
 1 mgc2                                                                                                                                 8.5000000000000000        1373.0000000000000      pacalogasparik_90                                                                                                                   
  125   50 1 mgc2                                                                                                                                   8.500    1373.0 pacalogasparik_90                       F
 1 mgc2                                                                                                                                 10.699999999999999        1973.0000000000000      pacalogasparik_90                                                                                                                   
  126   51 1 mgc2                                                                                                                                  10.700    1973.0 pacalogasparik_90                       F
 1 mgc2                                                                                                                                 8.1999999999999993        1223.0000000000000      pacalogasparik_90                                                                                                                   
  127   52 1 mgc2                                                                                                                                   8.200    1223.0 pacalogasparik_90                       F
 1 mgc2                                                                                                                                 8.1999999999999993        1273.0000000000000      pacalogasparik_90                                                                                                                   
  128   53 1 mgc2                                                                                                                                   8.200    1273.0 pacalogasparik_90                       F
 1 mgc2                                                                                                                                 15.000000000000000        1273.0000000000000      itonavrotsky_85                                                                                                                     
  129   54 1 mgc2                                                                                                                                  15.000    1273.0 itonavrotsky_85                         F
 1 mgc2                                                                                                                                 14.500000000000000        1450.0000000000000      itonavrotsky_85                                                                                                                     
  130   55 1 mgc2                                                                                                                                  14.500    1450.0 itonavrotsky_85                         F
 1 mgc2                                                                                                                                 15.500000000000000        1673.0000000000000      itonavrotsky_85                                                                                                                     
  131   56 1 mgc2                                                                                                                                  15.500    1673.0 itonavrotsky_85                         F
 1 mgc2                                                                                                                                 11.800000000000001        2373.0000000000000      presnalletal_98                                                                                                                     
  132   57 1 mgc2                                                                                                                                  11.800    2373.0 presnalletal_98                         F
 1 mgc2                                                                                                                                 13.900000000000000        2373.0000000000000      presnalletal_98                                                                                                                     
  133   58 1 mgc2                                                                                                                                  13.900    2373.0 presnalletal_98                         F
 1 mgc2                                                                                                                                 14.900000000000000        2463.0000000000000      presnalletal_98                                                                                                                     
  134   59 1 mgc2                                                                                                                                  14.900    2463.0 presnalletal_98                         F
 1 mgc2                                                                                                                                 14.900000000000000        2443.0000000000000      presnalletal_98                                                                                                                     
  135   60 1 mgc2                                                                                                                                  14.900    2443.0 presnalletal_98                         F
 x1 mgc2                                                                                                                                12.800000000000001        1273.0000000000000       akaogietal_87                                                                                                                      
 x1 mgc2                                                                                                                                13.600000000000000        1273.0000000000000       akaogietal_87                                                                                                                      
 x1 mgc2                                                                                                                                15.400000000000000        1273.0000000000000       akaogietal_87                                                                                                                      
 x1 mgc2                                                                                                                                9.1999999999999993        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                10.500000000000000        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                12.199999999999999        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                13.000000000000000        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                13.199999999999999        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                14.199999999999999        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                10.500000000000000        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                12.199999999999999        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                15.199999999999999        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                10.500000000000000        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                13.500000000000000        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                15.199999999999999        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgc2                                                                                                                                15.500000000000000        1673.0000000000000       sawamoto_87 (15.5)                                                                                                                 
 x1 mgc2                                                                                                                                16.000000000000000        1473.0000000000000       sawamoto_87 (16.0)                                                                                                                 
 x1 mgc2                                                                                                                                16.000000000000000        1873.0000000000000       sawamoto_87 (16.0)                                                                                                                 
 x1 mgc2                                                                                                                                17.000000000000000        2073.0000000000000       sawamoto_87 (17.0)                                                                                                                 
 x1 mgc2                                                                                                                                17.000000000000000        2273.0000000000000       sawamoto_87 (17.0)                                                                                                                 
 x1 mgmj                                                                                                                                22.399999999999999        2703.0000000000000       gasparik_90                                                                                                                        
 1 mgmj                                                                                                                                 16.500000000000000        2473.0000000000000      presnalletal_98                                                                                                                     
  157   61 1 mgmj                                                                                                                                  16.500    2473.0 presnalletal_98                         F
 1 mgmj                                                                                                                                 21.199999999999999        2273.0000000000000      hiroseetal_01b (20) (20.02)                                                                                                         
  158   62 1 mgmj                                                                                                                                  21.200    2273.0 hiroseetal_01b                          F
 x1 mgmj                                                                                                                                20.120000000000001        2273.0000000000000       hiroseetal_01a (20) (19.0)                                                                                                         
 x1 mgmj                                                                                                                                21.000000000000000        2223.0000000000000       itokatsura_92                                                                                                                      
 x1 mgmj                                                                                                                                17.300000000000001        2173.0000000000000       sawamoto_87 (17.3)                                                                                                                 
 x1 mgmj                                                                                                                                18.000000000000000        2073.0000000000000       sawamoto_87 (18.0)                                                                                                                 
 x1 mgmj                                                                                                                                18.000000000000000        2373.0000000000000       sawamoto_87 (18.0)                                                                                                                 
 x1 mgmj                                                                                                                                18.500000000000000        2073.0000000000000       sawamoto_87 (18.5)                                                                                                                 
 x1 mgmj                                                                                                                                19.600000000000001        2093.0000000000000       sawamoto_87 (19.6)                                                                                                                 
 x1 mgmj                                                                                                                                20.000000000000000        2273.0000000000000       sawamoto_87 (20.0)                                                                                                                 
 x1 mgmj                                                                                                                                20.000000000000000        2373.0000000000000       sawamoto_87 (20.0)                                                                                                                 
 x1 mgmj                                                                                                                                21.699999999999999        2373.0000000000000       sawamoto_87 (21.7)                                                                                                                 
 x1 mgmj                                                                                                                                23.000000000000000        2373.0000000000000       sawamoto_87 (23.0)                                                                                                                 
 x1 mgil                                                                                                                                24.000000000000000        1273.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgil                                                                                                                                23.500000000000000        1273.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgil                                                                                                                                22.199999999999999        1273.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgil                                                                                                                                23.500000000000000        1573.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgil                                                                                                                                23.100000000000001        1673.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgil                                                                                                                                22.800000000000001        1873.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgil                                                                                                                                22.800000000000001        1873.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgil                                                                                                                                21.000000000000000        1273.0000000000000       akaogietal_02                                                                                                                      
 x1 mgil                                                                                                                                24.100000000000001        1273.0000000000000       akaogietal_02                                                                                                                      
 x1 mgil                                                                                                                                24.199999999999999        1273.0000000000000       akaogietal_02                                                                                                                      
 x1 mgil                                                                                                                                17.800000000000001        1923.0000000000000       gasparik_90                                                                                                                        
 x1 mgil                                                                                                                                21.899999999999999        2123.0000000000000       gasparik_90                                                                                                                        
 1 mgil                                                                                                                                 20.000000000000000        1273.0000000000000       itonavrotsky_85                                                                                                                    
  182   63 1 mgil                                                                                                                                  20.000    1273.0 itonavrotsky_85                         F
 1 mgil                                                                                                                                 20.000000000000000        1873.0000000000000       itonavrotsky_85                                                                                                                    
  183   64 1 mgil                                                                                                                                  20.000    1873.0 itonavrotsky_85                         F
 1 mgil                                                                                                                                 22.129999999999999        1873.0000000000000       feietal_04a                                                                                                                        
  184   65 1 mgil                                                                                                                                  22.130    1873.0 feietal_04a                             F
 x1 mgil                                                                                                                                21.440000000000001        1673.0000000000000       hiroseetal_01b (20) (20.5)                                                                                                         
 x1 mgil                                                                                                                                21.030000000000001        2173.0000000000000       hiroseetal_01b (20) (19.9)                                                                                                         
 x1 mgil                                                                                                                                24.399999999999999        1298.0000000000000       onoetal_01                                                                                                                         
 x1 mgil                                                                                                                                24.100000000000001        1474.0000000000000       onoetal_01                                                                                                                         
 x1 mgil                                                                                                                                22.000000000000000        2023.0000000000000       hiroseetal_01a (1) (20.0)                                                                                                          
 x1 mgil                                                                                                                                23.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x1 mgil                                                                                                                                24.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x1 mgil                                                                                                                                20.000000000000000        1773.0000000000000       sawamoto_87 (20.0)                                                                                                                 
 x1 mgil                                                                                                                                20.000000000000000        2033.0000000000000       sawamoto_87 (20.0)                                                                                                                 
 x1 mgil                                                                                                                                20.500000000000000        1473.0000000000000       sawamoto_87 (20.5)                                                                                                                 
 x1 mgil                                                                                                                                21.000000000000000        2073.0000000000000       sawamoto_87 (21.0)                                                                                                                 
 x1 mgil                                                                                                                                22.000000000000000        2133.0000000000000       sawamoto_87 (22.0)                                                                                                                 
 x1 mgil                                                                                                                                23.000000000000000        2173.0000000000000       sawamoto_87 (23.0)                                                                                                                 
 x1 mgil                                                                                                                                23.699999999999999        1873.0000000000000       sawamoto_87 (23.7)                                                                                                                 
 x1 mgil                                                                                                                                24.000000000000000        1723.0000000000000       sawamoto_87 (24.0)                                                                                                                 
 x1 mgil                                                                                                                                21.000000000000000        2123.0000000000000       itokatsura_92                                                                                                                      
 1 mgpv                                                                                                                                 23.430000000000000        1673.0000000000000       feietal_04a                                                                                                                        
  201   66 1 mgpv                                                                                                                                  23.430    1673.0 feietal_04a                             F
 1 mgpv                                                                                                                                 24.559999999999999        1673.0000000000000       feietal_04a                                                                                                                        
  202   67 1 mgpv                                                                                                                                  24.560    1673.0 feietal_04a                             F
 1 mgpv                                                                                                                                 22.660000000000000        1873.0000000000000       feietal_04a                                                                                                                        
  203   68 1 mgpv                                                                                                                                  22.660    1873.0 feietal_04a                             F
 1 mgpv                                                                                                                                 22.410000000000000        1873.0000000000000       feietal_04a                                                                                                                        
  204   69 1 mgpv                                                                                                                                  22.410    1873.0 feietal_04a                             F
 1 mgpv                                                                                                                                 21.559999999999999        2173.0000000000000       feietal_04a                                                                                                                        
  205   70 1 mgpv                                                                                                                                  21.560    2173.0 feietal_04a                             F
 1 mgpv                                                                                                                                 22.460000000000001        2173.0000000000000       feietal_04a                                                                                                                        
  206   71 1 mgpv                                                                                                                                  22.460    2173.0 feietal_04a                             F
 1 mgpv                                                                                                                                 22.820000000000000        2173.0000000000000       feietal_04a                                                                                                                        
  207   72 1 mgpv                                                                                                                                  22.820    2173.0 feietal_04a                             F
 x1 mgpv                                                                                                                                24.500000000000000        1273.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgpv                                                                                                                                24.800000000000001        1273.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgpv                                                                                                                                24.800000000000001        1573.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgpv                                                                                                                                24.500000000000000        1573.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgpv                                                                                                                                24.000000000000000        1573.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgpv                                                                                                                                24.500000000000000        1873.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgpv                                                                                                                                24.000000000000000        1873.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgpv                                                                                                                                23.100000000000001        1873.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgpv                                                                                                                                23.100000000000001        1873.0000000000000       itotakahashi_89                                                                                                                    
 x1 mgpv                                                                                                                                25.000000000000000        1273.0000000000000       akaogietal_02                                                                                                                      
 x1 mgpv                                                                                                                                25.899999999999999        1273.0000000000000       akaogietal_02                                                                                                                      
 x1 mgpv                                                                                                                                22.399999999999999        2653.0000000000000       gasparik_90                                                                                                                        
 x1 mgpv                                                                                                                                22.399999999999999        2503.0000000000000       gasparik_90                                                                                                                        
 x1 mgpv                                                                                                                                22.600000000000001        2573.0000000000000       gasparik_90                                                                                                                        
 x1 mgpv                                                                                                                                22.399999999999999        2323.0000000000000       gasparik_90                                                                                                                        
 x1 mgpv                                                                                                                                22.399999999999999        2123.0000000000000       gasparik_90                                                                                                                        
 x1 mgpv                                                                                                                                22.680000000000000        2123.0000000000000       hiroseetal_01b (1) (20.5)                                                                                                          
 1 mgpv                                                                                                                                 21.539999999999999        2273.0000000000000      hiroseetal_01b (20) (20.34)                                                                                                         
  225   73 1 mgpv                                                                                                                                  21.540    2273.0 hiroseetal_01b                          F
 x1 mgpv                                                                                                                                24.100000000000001        1428.0000000000000       onoetal_01                                                                                                                         
 x1 mgpv                                                                                                                                24.399999999999999        1337.0000000000000       onoetal_01                                                                                                                         
 x1 mgpv                                                                                                                                22.199999999999999        2273.0000000000000       hiroseetal_01a (1) (19.9)                                                                                                          
 x1 mgpv                                                                                                                                22.699999999999999        2023.0000000000000       hiroseetal_01a (1) (20.6)                                                                                                          
 x1 mgpv                                                                                                                                23.100000000000001        2023.0000000000000       hiroseetal_01a (1) (21.0)                                                                                                          
 x1 mgpv                                                                                                                                24.000000000000000        2023.0000000000000       hiroseetal_01a (1) (21.8)                                                                                                          
 x1 mgpv                                                                                                                                24.899999999999999        2023.0000000000000       hiroseetal_01a (1) (22.6)                                                                                                          
 x1 mgpv                                                                                                                                25.500000000000000        2023.0000000000000       hiroseetal_01a (1) (23.2)                                                                                                          
 x1 mgpv                                                                                                                                23.000000000000000        2323.0000000000000       sawamoto_87 (23.0)                                                                                                                 
 x1 mgpv                                                                                                                                23.699999999999999        2083.0000000000000       sawamoto_87 (23.7)                                                                                                                 
 x1 mgpv                                                                                                                                24.000000000000000        2273.0000000000000       sawamoto_87 (24.0)                                                                                                                 
 x1 mgpv                                                                                                                                22.000000000000000        2203.0000000000000       itokatsura_92                                                                                                                      
 x1 mgpv                                                                                                                                22.000000000000000        2673.0000000000000       itokatsura_92                                                                                                                      
 x1 mgpv                                                                                                                                23.000000000000000        2673.0000000000000       itokatsura_92                                                                                                                      
 x1 mgpv                                                                                                                                24.000000000000000        2703.0000000000000       itokatsura_92                                                                                                                      
 x1 mgpv                                                                                                                                24.000000000000000        2773.0000000000000       itokatsura_92                                                                                                                      
 x1 mgpv                                                                                                                                25.000000000000000        2723.0000000000000       itokatsura_92                                                                                                                      
 x1 mgpv                                                                                                                                25.000000000000000        2803.0000000000000       itokatsura_92                                                                                                                      
 1 mgwa + 1 st                                                                                                                          16.000000000000000        1273.0000000000000      itonavrotsky_85                                                                                                                     
  244   74 1 mgwa + 1 st                                                                                                                           16.000    1273.0 itonavrotsky_85                         F
 1 mgwa + 1 st                                                                                                                          16.000000000000000        1357.0000000000000      itonavrotsky_85                                                                                                                     
  245   75 1 mgwa + 1 st                                                                                                                           16.000    1357.0 itonavrotsky_85                         F
 1 mgwa + 1 st                                                                                                                          16.000000000000000        1473.0000000000000      itonavrotsky_85                                                                                                                     
  246   76 1 mgwa + 1 st                                                                                                                           16.000    1473.0 itonavrotsky_85                         F
 1 mgwa + 1 st                                                                                                                          17.000000000000000        1473.0000000000000      itonavrotsky_85                                                                                                                     
  247   77 1 mgwa + 1 st                                                                                                                           17.000    1473.0 itonavrotsky_85                         F
 1 mgwa + 1 st                                                                                                                          18.000000000000000        1873.0000000000000      itonavrotsky_85                                                                                                                     
  248   78 1 mgwa + 1 st                                                                                                                           18.000    1873.0 itonavrotsky_85                         F
 x1 mgwa + 1 st                                                                                                                         17.500000000000000        1723.0000000000000       gasparik_90 (4)                                                                                                                    
 x1 mgwa + 1 st                                                                                                                         17.000000000000000        1273.0000000000000       akaogietal_87 (4)                                                                                                                  
 x1 mgwa + 1 st                                                                                                                         16.000000000000000        1673.0000000000000       sawamoto_87 (16.0)                                                                                                                 
 x1 mgwa + 1 st                                                                                                                         18.000000000000000        1673.0000000000000       sawamoto_87 (18.0)                                                                                                                 
 x1 mgwa + 1 st                                                                                                                         18.500000000000000        1923.0000000000000       sawamoto_87 (18.5)                                                                                                                 
 x1 mgwa + 1 st                                                                                                                         18.500000000000000        1973.0000000000000       sawamoto_87 (18.5)                                                                                                                 
 x1 mgwa + 1 st                                                                                                                         19.000000000000000        1773.0000000000000       sawamoto_87 (19.0)                                                                                                                 
 x1 mgwa + 1 st                                                                                                                         19.000000000000000        1973.0000000000000       sawamoto_87 (19.0)                                                                                                                 
 x1 mgwa + 1 st                                                                                                                         19.600000000000001        1973.0000000000000       sawamoto_87 (19.6)                                                                                                                 
 x1 mgwa + 1 st                                                                                                                         17.000000000000000        1613.0000000000000       sawamoto_87 (17.0)                                                                                                                 
 x1 mgwa + 1 st                                                                                                                         17.000000000000000        1773.0000000000000       sawamoto_87 (17.0)                                                                                                                 
 x1 mgwa + 1 st                                                                                                                         17.500000000000000        1773.0000000000000       sawamoto_87 (17.5)                                                                                                                 
 1 mgri + 1 st                                                                                                                          19.100000000000001        1373.0000000000000      itonavrotsky_85                                                                                                                     
  261   79 1 mgri + 1 st                                                                                                                           19.100    1373.0 itonavrotsky_85                         F
 1 mgri + 1 st                                                                                                                          19.100000000000001        1673.0000000000000      itonavrotsky_85                                                                                                                     
  262   80 1 mgri + 1 st                                                                                                                           19.100    1673.0 itonavrotsky_85                         F
 x1 mgri + 1 st                                                                                                                         19.000000000000000        1273.0000000000000       akaogietal_02                                                                                                                      
 x1 mgri + 1 st                                                                                                                         22.000000000000000        1773.0000000000000       irifuneetal_96 (4,17)                                                                                                              
 x1 mgri + 1 st                                                                                                                         16.500000000000000        1373.0000000000000       sawamoto_87 (16.5)                                                                                                                 
 x1 mgri + 1 st                                                                                                                         18.000000000000000        1573.0000000000000       sawamoto_87 (18.0)                                                                                                                 
 x1 mgri + 1 st                                                                                                                         20.000000000000000        1523.0000000000000       sawamoto_87 (20.0)                                                                                                                 
 1 fs                                                                                                                                   5.0000000000000000        1173.0000000000000      woodlandangel_97                                                                                                                    
  268   81 1 fs                                                                                                                                     5.000    1173.0 woodlandangel_97                        F
 1 fs                                                                                                                                   5.5000000000000000        1263.0000000000000      woodlandangel_97                                                                                                                    
  269   82 1 fs                                                                                                                                     5.500    1263.0 woodlandangel_97                        F
 1 fs                                                                                                                                   6.0000000000000000        1398.0000000000000      woodlandangel_97                                                                                                                    
  270   83 1 fs                                                                                                                                     6.000    1398.0 woodlandangel_97                        F
 1 fs                                                                                                                                   6.5000000000000000        1498.0000000000000      woodlandangel_97                                                                                                                    
  271   84 1 fs                                                                                                                                     6.500    1498.0 woodlandangel_97                        F
 1 fs                                                                                                                                   7.0000000000000000        1578.0000000000000      woodlandangel_97                                                                                                                    
  272   85 1 fs                                                                                                                                     7.000    1578.0 woodlandangel_97                        F
 x1 fs                                                                                                                                  5.5000000000000000        1323.0000000000000       akimotoetal_65                                                                                                                     
 x1 fec2                                                                                                                                5.5000000000000000        1223.0000000000000       akimotoetal_65                                                                                                                     
 1 fec2                                                                                                                                 5.5000000000000000        1173.0000000000000      woodlandangel_97                                                                                                                    
  275   86 1 fec2                                                                                                                                   5.500    1173.0 woodlandangel_97                        F
 1 fec2                                                                                                                                 6.5000000000000000        1286.0000000000000      woodlandangel_97                                                                                                                    
  276   87 1 fec2                                                                                                                                   6.500    1286.0 woodlandangel_97                        F
 1 fec2                                                                                                                                 7.0000000000000000        1286.0000000000000      woodlandangel_97                                                                                                                    
  277   88 1 fec2                                                                                                                                   7.000    1286.0 woodlandangel_97                        F
 1 fec2                                                                                                                                 7.0000000000000000        1503.0000000000000      woodlandangel_97                                                                                                                    
  278   89 1 fec2                                                                                                                                   7.000    1503.0 woodlandangel_97                        F
 1 fec2                                                                                                                                 7.2000000000000002        1461.0000000000000      woodlandangel_97                                                                                                                    
  279   90 1 fec2                                                                                                                                   7.200    1461.0 woodlandangel_97                        F
 1 fec2                                                                                                                                 7.5000000000000000        1473.0000000000000      woodlandangel_97                                                                                                                    
  280   91 1 fec2                                                                                                                                   7.500    1473.0 woodlandangel_97                        F
 1 fec2                                                                                                                                 7.5000000000000000        1568.0000000000000      woodlandangel_97                                                                                                                    
  281   92 1 fec2                                                                                                                                   7.500    1568.0 woodlandangel_97                        F
 1 fec2                                                                                                                                 8.3000000000000007        1063.0000000000000      akimotosyono_70                                                                                                                     
  282   93 1 fec2                                                                                                                                   8.300    1063.0 akimotosyono_70                         F
 1 fec2                                                                                                                                 8.8000000000000007        1273.0000000000000      akimotosyono_70                                                                                                                     
  283   94 1 fec2                                                                                                                                   8.800    1273.0 akimotosyono_70                         F
 1 fec2                                                                                                                                 9.4000000000000004        1483.0000000000000      akimotosyono_70                                                                                                                     
  284   95 1 fec2                                                                                                                                   9.400    1483.0 akimotosyono_70                         F
 x1 fec2                                                                                                                                8.8000000000000007        1273.0000000000000       akaogiakimoto_77                                                                                                                   
 1 feri + 1 st                                                                                                                          9.4000000000000004        1063.0000000000000      akimotosyono_70                                                                                                                     
  286   96 1 feri + 1 st                                                                                                                            9.400    1063.0 akimotosyono_70                         F
 1 feri + 1 st                                                                                                                          9.4000000000000004        1273.0000000000000      akimotosyono_70                                                                                                                     
  287   97 1 feri + 1 st                                                                                                                            9.400    1273.0 akimotosyono_70                         F
 1 feri + 1 st                                                                                                                          9.8000000000000007        1423.0000000000000      akimotosyono_70                                                                                                                     
  288   98 1 feri + 1 st                                                                                                                            9.800    1423.0 akimotosyono_70                         F
 x1 feri + 1 st                                                                                                                         9.4000000000000004        1273.0000000000000       akaogiakimoto_77                                                                                                                   
 1 wu + 2 st                                                                                                                            19.800000000000001        1473.0000000000000      katsuraetal_98 upstroke from fa                                                                                                     
  290   99 1 wu + 2 st                                                                                                                             19.800    1473.0 katsuraetal_98                          F
 1 wu + 2 st                                                                                                                            17.399999999999999        1473.0000000000000      katsuraetal_98 upstroke from fa                                                                                                     
  291  100 1 wu + 2 st                                                                                                                             17.400    1473.0 katsuraetal_98                          F
 1 wu + 2 st                                                                                                                            17.699999999999999        1673.0000000000000      katsuraetal_98 upstroke from fa                                                                                                     
  292  101 1 wu + 2 st                                                                                                                             17.700    1673.0 katsuraetal_98                          F
 1 wu + 2 st                                                                                                                            17.399999999999999        1873.0000000000000      katsuraetal_98 upstroke from fa                                                                                                     
  293  102 1 wu + 2 st                                                                                                                             17.400    1873.0 katsuraetal_98                          F
 x1 wu + 2 st                                                                                                                           80.000000000000000        2270.0000000000000       katoetal_16                                                                                                                        
 x1 wu + 2 st                                                                                                                           67.000000000000000        2050.0000000000000       katoetal_16                                                                                                                        
 x1 wu + 2 st                                                                                                                           81.000000000000000        2730.0000000000000       katoetal_16                                                                                                                        
 x1 wu + 2 st                                                                                                                           33.000000000000000        2200.0000000000000       katoetal_16                                                                                                                        
 x1 wu + 2 st                                                                                                                           116.00000000000000        2760.0000000000000       katoetal_16                                                                                                                        
 x1 wu + 2 st                                                                                                                           131.00000000000000        3350.0000000000000       katoetal_16                                                                                                                        
 x1 wu + 2 st                                                                                                                           101.00000000000000        2180.0000000000000       katoetal_16                                                                                                                        
 4 wu + 6 wuls + 40 apbo                                                                                                                149.00000000000000        2000.0000000000000       fujinoetal_09 approximate LS fraction b                                                                                            
  301  103 4 wu + 6 wuls + 40 apbo                                                                                                                149.000    2000.0 fujinoetal_09                           F
 6 wu + 4 wuls + 40 st                                                                                                                  117.00000000000000        2000.0000000000000       fujinoetal_09 approximate LS fraction b                                                                                            
  302  104 6 wu + 4 wuls + 40 st                                                                                                                  117.000    2000.0 fujinoetal_09                           F
 1 fa                                                                                                                                   4.1799999999999997        1073.0000000000000      yagietal_87                                                                                                                         
  303  105 1 fa                                                                                                                                     4.180    1073.0 yagietal_87                             F
 1 fa                                                                                                                                   5.1799999999999997        1273.0000000000000      yagietal_87                                                                                                                         
  304  106 1 fa                                                                                                                                     5.180    1273.0 yagietal_87                             F
 1 fa                                                                                                                                   5.1399999999999997        1273.0000000000000      yagietal_87                                                                                                                         
  305  107 1 fa                                                                                                                                     5.140    1273.0 yagietal_87                             F
 1 fa                                                                                                                                   5.5599999999999996        1473.0000000000000      yagietal_87                                                                                                                         
  306  108 1 fa                                                                                                                                     5.560    1473.0 yagietal_87                             F
 1 fa                                                                                                                                   5.5000000000000000        1473.0000000000000      yagietal_87                                                                                                                         
  307  109 1 fa                                                                                                                                     5.500    1473.0 yagietal_87                             F
 1 feri                                                                                                                                 5.0199999999999996        1073.0000000000000      yagietal_87                                                                                                                         
  308  110 1 feri                                                                                                                                   5.020    1073.0 yagietal_87                             F
 1 feri                                                                                                                                 4.8200000000000003        1073.0000000000000      yagietal_87                                                                                                                         
  309  111 1 feri                                                                                                                                   4.820    1073.0 yagietal_87                             F
 1 feri                                                                                                                                 4.9699999999999998        1073.0000000000000      yagietal_87                                                                                                                         
  310  112 1 feri                                                                                                                                   4.970    1073.0 yagietal_87                             F
 1 feri                                                                                                                                 5.4400000000000004        1273.0000000000000      yagietal_87                                                                                                                         
  311  113 1 feri                                                                                                                                   5.440    1273.0 yagietal_87                             F
 1 feri                                                                                                                                 5.3700000000000001        1273.0000000000000      yagietal_87                                                                                                                         
  312  114 1 feri                                                                                                                                   5.370    1273.0 yagietal_87                             F
 1 feri                                                                                                                                 6.1799999999999997        1473.0000000000000      yagietal_87                                                                                                                         
  313  115 1 feri                                                                                                                                   6.180    1473.0 yagietal_87                             F
 1 feri                                                                                                                                 5.8200000000000003        1473.0000000000000      yagietal_87                                                                                                                         
  314  116 1 feri                                                                                                                                   5.820    1473.0 yagietal_87                             F
 1 feri                                                                                                                                 5.2900000000000000        773.00000000000000      yagietal_87                                                                                                                         
  315  117 1 feri                                                                                                                                   5.290     773.0 yagietal_87                             F
 1 feri                                                                                                                                 4.3200000000000003        873.00000000000000      yagietal_87                                                                                                                         
  316  118 1 feri                                                                                                                                   4.320     873.0 yagietal_87                             F
 1 feri                                                                                                                                 6.1299999999999999        1073.0000000000000      yagietal_87                                                                                                                         
  317  119 1 feri                                                                                                                                   6.130    1073.0 yagietal_87                             F
 1 feri                                                                                                                                 6.1100000000000003        1073.0000000000000      yagietal_87                                                                                                                         
  318  120 1 feri                                                                                                                                   6.110    1073.0 yagietal_87                             F
 1 feri                                                                                                                                 6.2800000000000002        1073.0000000000000      yagietal_87                                                                                                                         
  319  121 1 feri                                                                                                                                   6.280    1073.0 yagietal_87                             F
 1 feri                                                                                                                                 5.5599999999999996        1173.0000000000000      yagietal_87                                                                                                                         
  320  122 1 feri                                                                                                                                   5.560    1173.0 yagietal_87                             F
 1 feri                                                                                                                                 14.800000000000001        1473.0000000000000      katsuraetal_98 upstroke from fa xx doubl                                                                                            
  321  123 1 feri                                                                                                                                  14.800    1473.0 katsuraetal_98                          F
 1 feri                                                                                                                                 16.199999999999999        1473.0000000000000      katsuraetal_98 upstroke from fa                                                                                                     
  322  124 1 feri                                                                                                                                  16.200    1473.0 katsuraetal_98                          F
 1 feri                                                                                                                                 16.899999999999999        1473.0000000000000      katsuraetal_98 upstroke from fa                                                                                                     
  323  125 1 feri                                                                                                                                  16.900    1473.0 katsuraetal_98                          F
 1 feri                                                                                                                                 17.199999999999999        1673.0000000000000      katsuraetal_98 upstroke from fa                                                                                                     
  324  126 1 feri                                                                                                                                  17.200    1673.0 katsuraetal_98                          F
 1 feri                                                                                                                                 17.199999999999999        1273.0000000000000      katsuraetal_98 upstroke from fa                                                                                                     
  325  127 1 feri                                                                                                                                  17.200    1273.0 katsuraetal_98                          F
 x1 di                                                                                                                                  17.800000000000001        1623.0000000000000       canil_94                                                                                                                           
 x1 di                                                                                                                                  17.000000000000000        1773.0000000000000       canil_94                                                                                                                           
 x1 di                                                                                                                                  17.000000000000000        1923.0000000000000       canil_94                                                                                                                           
 x1 di                                                                                                                                  16.500000000000000        2023.0000000000000       canil_94                                                                                                                           
 x1 di                                                                                                                                  17.000000000000000        2073.0000000000000       canil_94                                                                                                                           
 x1 di                                                                                                                                  13.000000000000000        1373.0000000000000       irifuneetal_89                                                                                                                     
 x1 di                                                                                                                                  18.000000000000000        1373.0000000000000       irifuneetal_89                                                                                                                     
 x1 di                                                                                                                                  17.000000000000000        1173.0000000000000       koitoetal_00                                                                                                                       
 x1 di                                                                                                                                  18.000000000000000        1173.0000000000000       koitoetal_00                                                                                                                       
 x1 di                                                                                                                                  17.000000000000000        1473.0000000000000       koitoetal_00                                                                                                                       
 x1 di                                                                                                                                  18.000000000000000        1473.0000000000000       koitoetal_00                                                                                                                       
 1 di                                                                                                                                   0.0000000000000000        1665.0000000000000      boydengland_63                                                                                                                      
  337  128 1 di                                                                                                                                     0.000    1665.0 boydengland_63                          F
 1 di                                                                                                                                   14.000000000000000        2400.0000000000000      gasparik_96a                                                                                                                        
  338  129 1 di                                                                                                                                    14.000    2400.0 gasparik_96a                            F
 1 di                                                                                                                                   17.000000000000000        1273.0000000000000      akaogietal_04                                                                                                                       
  339  130 1 di                                                                                                                                    17.000    1273.0 akaogietal_04                           F
 1 di                                                                                                                                   17.500000000000000        1473.0000000000000      akaogietal_04                                                                                                                       
  340  131 1 di                                                                                                                                    17.500    1473.0 akaogietal_04                           F
 1 di                                                                                                                                   17.500000000000000        1673.0000000000000      akaogietal_04                                                                                                                       
  341  132 1 di                                                                                                                                    17.500    1673.0 akaogietal_04                           F
 1 di                                                                                                                                   17.500000000000000        1473.0000000000000      akaogietal_04                                                                                                                       
  342  133 1 di                                                                                                                                    17.500    1473.0 akaogietal_04                           F
 1 di                                                                                                                                   16.500000000000000        1873.0000000000000      akaogietal_04                                                                                                                       
  343  134 1 di                                                                                                                                    16.500    1873.0 akaogietal_04                           F
 1 di                                                                                                                                   17.500000000000000        2073.0000000000000      akaogietal_04                                                                                                                       
  344  135 1 di                                                                                                                                    17.500    2073.0 akaogietal_04                           F
 2 capv + 1 mgwa + 1 st                                                                                                                 17.500000000000000        1273.0000000000000      akaogietal_04                                                                                                                       
  345  136 2 capv + 1 mgwa + 1 st                                                                                                                  17.500    1273.0 akaogietal_04                           F
 2 capv + 1 mgwa + 1 st                                                                                                                 18.000000000000000        1273.0000000000000      akaogietal_04                                                                                                                       
  346  137 2 capv + 1 mgwa + 1 st                                                                                                                  18.000    1273.0 akaogietal_04                           F
 2 capv + 1 mgwa + 1 st                                                                                                                 18.000000000000000        1473.0000000000000      akaogietal_04                                                                                                                       
  347  138 2 capv + 1 mgwa + 1 st                                                                                                                  18.000    1473.0 akaogietal_04                           F
 2 capv + 1 mgwa + 1 st                                                                                                                 19.000000000000000        1673.0000000000000      akaogietal_04                                                                                                                       
  348  139 2 capv + 1 mgwa + 1 st                                                                                                                  19.000    1673.0 akaogietal_04                           F
 x2 capv + 1 mgri + 1 st                                                                                                                19.000000000000000        1773.0000000000000       irifuneetal_89                                                                                                                     
 2 capv + 1 mgri + 1 st                                                                                                                 19.000000000000000        1473.0000000000000      akaogietal_04                                                                                                                       
  350  140 2 capv + 1 mgri + 1 st                                                                                                                  19.000    1473.0 akaogietal_04                           F
 2 capv + 1 mgri + 1 st                                                                                                                 20.000000000000000        1473.0000000000000      akaogietal_04                                                                                                                       
  351  141 2 capv + 1 mgri + 1 st                                                                                                                  20.000    1473.0 akaogietal_04                           F
 2 capv + 1 mgri + 1 st                                                                                                                 20.500000000000000        1473.0000000000000      akaogietal_04                                                                                                                       
  352  142 2 capv + 1 mgri + 1 st                                                                                                                  20.500    1473.0 akaogietal_04                           F
 2 capv + 1 mgri + 1 st                                                                                                                 20.000000000000000        1673.0000000000000      akaogietal_04                                                                                                                       
  353  143 2 capv + 1 mgri + 1 st                                                                                                                  20.000    1673.0 akaogietal_04                           F
 x1 capv + 1 mgil                                                                                                                       20.000000000000000        1373.0000000000000       irifuneetal_89                                                                                                                     
 x1 capv + 1 mgil                                                                                                                       22.000000000000000        1773.0000000000000       irifuneetal_89                                                                                                                     
 x1 capv + 1 mgil                                                                                                                       20.000000000000000        1473.0000000000000       koitoetal_00                                                                                                                       
 1 capv + 1 mgil                                                                                                                        21.000000000000000        1473.0000000000000      akaogietal_04                                                                                                                       
  357  144 1 capv + 1 mgil                                                                                                                         21.000    1473.0 akaogietal_04                           F
 1 capv + 1 mgil                                                                                                                        20.500000000000000        1673.0000000000000      akaogietal_04                                                                                                                       
  358  145 1 capv + 1 mgil                                                                                                                         20.500    1673.0 akaogietal_04                           F
 1 capv + 1 mgil                                                                                                                        21.000000000000000        1773.0000000000000      akaogietal_04                                                                                                                       
  359  146 1 capv + 1 mgil                                                                                                                         21.000    1773.0 akaogietal_04                           F
 1 capv + 1 mgil                                                                                                                        21.000000000000000        1873.0000000000000      akaogietal_04                                                                                                                       
  360  147 1 capv + 1 mgil                                                                                                                         21.000    1873.0 akaogietal_04                           F
 1 capv + 1 mgil                                                                                                                        22.500000000000000        1873.0000000000000      akaogietal_04                                                                                                                       
  361  148 1 capv + 1 mgil                                                                                                                         22.500    1873.0 akaogietal_04                           F
 1 capv + 1 mgil                                                                                                                        22.000000000000000        2073.0000000000000      akaogietal_04                                                                                                                       
  362  149 1 capv + 1 mgil                                                                                                                         22.000    2073.0 akaogietal_04                           F
 x1 capv + 1 mgpv                                                                                                                       24.500000000000000        1773.0000000000000       irifuneetal_89                                                                                                                     
 1 capv + 1 mgpv                                                                                                                        23.000000000000000        1873.0000000000000      akaogietal_04                                                                                                                       
  364  150 1 capv + 1 mgpv                                                                                                                         23.000    1873.0 akaogietal_04                           F
 1 capv + 1 mgpv                                                                                                                        22.300000000000001        2073.0000000000000      akaogietal_04                                                                                                                       
  365  151 1 capv + 1 mgpv                                                                                                                         22.300    2073.0 akaogietal_04                           F
 1 capv + 1 mgpv                                                                                                                        22.300000000000001        2073.0000000000000      akaogietal_04                                                                                                                       
  366  152 1 capv + 1 mgpv                                                                                                                         22.300    2073.0 akaogietal_04                           F
 x340 capv + 20 gr - 20 py + 115 mgmj                                                                                                   18.000000000000000        1773.0000000000000       canil_94                                                                                                                           
 x88 capv + 4 gr - 4 py + 28 mgmj                                                                                                       19.000000000000000        1773.0000000000000       canil_94                                                                                                                           
 x18 gr - 18 py + 250 mgmj                                                                                                              19.000000000000000        1873.0000000000000       akaogietal_04                                                                                                                      
 x36 gr - 36 py + 250 mgmj                                                                                                              19.000000000000000        1873.0000000000000       akaogietal_04                                                                                                                      
 x2704 capv + 216 gr - 216 py + 1000 mgmj                                                                                               19.000000000000000        2023.0000000000000       akaogietal_04                                                                                                                      
 x1870 capv + 355 gr - 355 py + 1000 mgmj                                                                                               19.399999999999999        2273.0000000000000       akaogietal_04                                                                                                                      
 x1 he                                                                                                                                  12.000000000000000        1473.0000000000000       kimetal_91                                                                                                                         
 x2 capv + 1 feri + 1 st                                                                                                                16.000000000000000        1473.0000000000000       kimetal_91                                                                                                                         
 x2 capv + 1 feri + 1 st                                                                                                                18.000000000000000        1473.0000000000000       kimetal_91                                                                                                                         
 x2 capv + 1 wu + 2 st                                                                                                                  21.000000000000000        1473.0000000000000       kimetal_91                                                                                                                         
 x2 capv + 1 wu + 2 st                                                                                                                  26.000000000000000        1473.0000000000000       kimetal_91                                                                                                                         
 x1 py                                                                                                                                  25.000000000000000        1773.0000000000000       irifuneetal_96                                                                                                                     
 x1 py                                                                                                                                  26.000000000000000        1773.0000000000000       irifuneetal_96                                                                                                                     
 x1 py                                                                                                                                  25.699999999999999        1873.0000000000000       kuboakaogi_00                                                                                                                      
 x1 py                                                                                                                                  23.699999999999999        1873.0000000000000       kuboakaogi_00                                                                                                                      
 x1 py                                                                                                                                  25.100000000000001        1873.0000000000000       kuboakaogi_00                                                                                                                      
 x1 py                                                                                                                                  26.199999999999999        1873.0000000000000       kuboakaogi_00                                                                                                                      
 xx1 py                                                                                                                                 26.160000000000000        1473.0000000000000        hiroseetal_01a (20,21) (25.104)                                                                                                   
 x1 py                                                                                                                                  25.899999999999999        51.773000000000003      .0    hiroseetal_01a (20,21) (24.748)                                                                                               
 x1 py                                                                                                                                  26.000000000000000        2023.0000000000000       hiroseetal_01a (20,21) (24.673)                                                                                                    
 xx1 py                                                                                                                                 26.100000000000001        1473.0000000000000        hiroseetal_01a (20,22) (25.05)                                                                                                    
 x1 py                                                                                                                                  25.649999999999999        1773.0000000000000       hiroseetal_01a (20,22) (24.47)                                                                                                     
 x1 py                                                                                                                                  24.109999999999999        2023.0000000000000       hiroseetal_01a (20,22) (22.88)                                                                                                     
 x1 py                                                                                                                                  25.570000000000000        2023.0000000000000       hiroseetal_01a (20,22) (24.27)                                                                                                     
 x1 py                                                                                                                                  25.969999999999999        2273.0000000000000       hiroseetal_01a (20,22) (24.52)                                                                                                     
 x1 py                                                                                                                                  25.199999999999999        2273.0000000000000       hiroseetal_01a (20,22) (23.8)                                                                                                      
 x1 py                                                                                                                                  24.199999999999999        1273.0000000000000       akaogietal_02                                                                                                                      
 x95 py +  5 mgmj                                                                                                                       6.7999999999999998        1273.0000000000000       akaogietal_87 xx double check these pre                                                                                            
 x95 py +  5 mgmj                                                                                                                       8.4000000000000004        1273.0000000000000       akaogietal_87                                                                                                                      
 x82 py + 18 mgmj                                                                                                                       11.300000000000001        1273.0000000000000       akaogietal_87                                                                                                                      
 x82 py + 18 mgmj                                                                                                                       12.199999999999999        1273.0000000000000       akaogietal_87                                                                                                                      
 x59 py + 41 mgmj                                                                                                                       16.300000000000001        1273.0000000000000       akaogietal_87                                                                                                                      
 x52 py + 48 mgmj                                                                                                                       16.800000000000001        1273.0000000000000       akaogietal_87                                                                                                                      
 x8 py + 92 mgmj                                                                                                                        20.120000000000001        2273.0000000000000       hiroseetal_01a (20,22) (19.0)                                                                                                      
 x16 py + 84 mgmj                                                                                                                       20.100000000000001        2273.0000000000000       hiroseetal_01a (20,22) (19.0)                                                                                                      
 x40 py + 60 mgmj                                                                                                                       21.600000000000001        2273.0000000000000       hiroseetal_01a (20,22) (20.4)                                                                                                      
 x84 py + 16 mgmj                                                                                                                       25.199999999999999        2273.0000000000000       hiroseetal_01a (20,22) (23.8)                                                                                                      
 x92 py +  8 mgmj                                                                                                                       25.199999999999999        2273.0000000000000       hiroseetal_01a (20,22) (23.8)                                                                                                      
 x40 py + 60 mgmj                                                                                                                       19.000000000000000        1273.0000000000000       akaogietal_02                                                                                                                      
 x86 py + 14 mgmj                                                                                                                       10.000000000000000        1723.0000000000000       gasparik_89                                                                                                                        
 x75 py + 25 mgmj                                                                                                                       12.500000000000000        1723.0000000000000       gasparik_89                                                                                                                        
 x67 py + 33 mgmj                                                                                                                       14.000000000000000        1723.0000000000000       gasparik_89                                                                                                                        
 x52 py + 48 mgmj                                                                                                                       15.199999999999999        1723.0000000000000       gasparik_89                                                                                                                        
 x49 py + 51 mgmj                                                                                                                       15.699999999999999        1723.0000000000000       gasparik_89                                                                                                                        
 x36 py + 64 mgmj                                                                                                                       16.000000000000000        1723.0000000000000       gasparik_89                                                                                                                        
 x36 py + 64 mgmj                                                                                                                       16.500000000000000        1723.0000000000000       gasparik_89                                                                                                                        
 x72 py + 28 mgmj                                                                                                                       12.500000000000000        1923.0000000000000       gasparik_89                                                                                                                        
 x64 py + 36 mgmj                                                                                                                       14.000000000000000        1923.0000000000000       gasparik_89                                                                                                                        
 x49 py + 51 mgmj                                                                                                                       15.199999999999999        1923.0000000000000       gasparik_89                                                                                                                        
 x44 py + 56 mgmj                                                                                                                       15.699999999999999        1923.0000000000000       gasparik_89                                                                                                                        
 x34 py + 66 mgmj                                                                                                                       16.000000000000000        1923.0000000000000       gasparik_89                                                                                                                        
 x9 py + 91 mgmj                                                                                                                        16.500000000000000        1923.0000000000000       gasparik_89                                                                                                                        
 x25 py + 75 mgmj                                                                                                                       16.500000000000000        1823.0000000000000       gasparik_89                                                                                                                        
 x10 py + 90 mgmj                                                                                                                       16.500000000000000        2023.0000000000000       gasparik_89                                                                                                                        
 x15 py + 85 mgmj                                                                                                                       16.500000000000000        2123.0000000000000       gasparik_89                                                                                                                        
 x60 py + 40 mgmj                                                                                                                       22.199999999999999        1873.0000000000000       kuboakaogi_00                                                                                                                      
 x80 py + 20 mgmj                                                                                                                       25.199999999999999        1873.0000000000000       kuboakaogi_00                                                                                                                      
 x80 py + 20 mgmj                                                                                                                       23.800000000000001        1873.0000000000000       kuboakaogi_00                                                                                                                      
 x3 mgil + 1 co                                                                                                                         26.199999999999999        1073.0000000000000       akaogietal_02                                                                                                                      
 x3 mgil + 1 co                                                                                                                         26.399999999999999        1273.0000000000000       akaogietal_02                                                                                                                      
 x3 mgil + 1 co                                                                                                                         26.600000000000001        1133.0000000000000       akaogietal_02                                                                                                                      
 x95 mgil +  5 co                                                                                                                       23.500000000000000        1273.0000000000000       akaogietal_02                                                                                                                      
 x95 mgil +  5 co                                                                                                                       24.100000000000001        1273.0000000000000       akaogietal_02                                                                                                                      
 x90 mgil + 10 co                                                                                                                       25.199999999999999        1273.0000000000000       akaogietal_02                                                                                                                      
 x85 mgil + 15 co                                                                                                                       25.699999999999999        1273.0000000000000       akaogietal_02                                                                                                                      
 x80 mgil + 20 co                                                                                                                       26.500000000000000        1273.0000000000000       akaogietal_02                                                                                                                      
 x3 mgil + 1 co                                                                                                                         25.699999999999999        1073.0000000000000       kuboakaogi_00                                                                                                                      
 x9 mgil + 1 co                                                                                                                         25.699999999999999        1073.0000000000000       kuboakaogi_00                                                                                                                      
 x975 mgpv + 25 alpv                                                                                                                    26.500000000000000        1273.0000000000000       akaogietal_02                                                                                                                      
 x98 mgpv +  2 alpv                                                                                                                     23.079999999999998        2023.0000000000000       hiroseetal_01a (20,22) (21.9)                                                                                                      
 x98 mgpv +  2 alpv                                                                                                                     23.809999999999999        2023.0000000000000       hiroseetal_01a (20,22) (22.6)                                                                                                      
 x96 mgpv +  4 alpv                                                                                                                     24.449999999999999        2023.0000000000000       hiroseetal_01a (20,22) (23.2)                                                                                                      
 x92 mgpv +  8 alpv                                                                                                                     24.760000000000002        2023.0000000000000       hiroseetal_01a (20,22) (23.5)                                                                                                      
 x92 mgpv +  8 alpv                                                                                                                     26.340000000000000        2023.0000000000000       hiroseetal_01a (20,22) (25.0)                                                                                                      
 x92 mgpv + 10 alpv                                                                                                                     26.340000000000000        2023.0000000000000       hiroseetal_01a (20,22) (25.0)                                                                                                      
 x92 mgpv + 12 alpv                                                                                                                     26.340000000000000        2023.0000000000000       hiroseetal_01a (20,22) (25.0)                                                                                                      
 x96 mgpv +  4 alpv                                                                                                                     24.359999999999999        2273.0000000000000       hiroseetal_01a (20,22) (23.0)                                                                                                      
 x94 mgpv +  6 alpv                                                                                                                     25.940000000000001        2273.0000000000000       hiroseetal_01a (20,22) (24.5)                                                                                                      
 x90 mgpv + 10 alpv                                                                                                                     27.000000000000000        1873.0000000000000       kuboakaogi_00                                                                                                                      
 x92 mgpv +  8 alpv                                                                                                                     26.800000000000001        1873.0000000000000       kuboakaogi_00                                                                                                                      
 x90 mgpv + 10 alpv                                                                                                                     27.000000000000000        2273.0000000000000       kuboakaogi_00                                                                                                                      
 x95 mgpv +  5 alpv                                                                                                                     27.000000000000000        2273.0000000000000       kuboakaogi_00                                                                                                                      
 x3 mgpv + 1 alpv                                                                                                                       37.000000000000000        1873.0000000000000       itoetal_98                                                                                                                         
 x90 mgpv +  10 alpv                                                                                                                    27.000000000000000        1773.0000000000000       irifuneetal_96                                                                                                                     
 x90 mgpv +  10 alpv                                                                                                                    27.500000000000000        1773.0000000000000       irifuneetal_96                                                                                                                     
 x1 al                                                                                                                                  20.300000000000001        1493.0000000000000       akaogietal_98                                                                                                                      
 x1 al                                                                                                                                  20.300000000000001        1593.0000000000000       akaogietal_98                                                                                                                      
 x1 al                                                                                                                                  20.300000000000001        1773.0000000000000       akaogietal_98                                                                                                                      
 x1 al                                                                                                                                  20.300000000000001        1873.0000000000000       akaogietal_98                                                                                                                      
 x4 co + 3 wu + 12 st                                                                                                                   21.000000000000000        1473.0000000000000       akaogietal_98                                                                                                                      
 x4 co + 3 wu + 12 st                                                                                                                   21.000000000000000        1673.0000000000000       akaogietal_98                                                                                                                      
 x4 co + 3 wu + 12 st                                                                                                                   21.600000000000001        1873.0000000000000       akaogietal_98                                                                                                                      
 x4 co + 3 wu + 12 st                                                                                                                   22.000000000000000        1473.0000000000000       akaogietal_98                                                                                                                      
 x4 co + 3 wu + 12 st                                                                                                                   22.000000000000000        1673.0000000000000       akaogietal_98                                                                                                                      
 x4 co + 3 wu + 12 st                                                                                                                   23.500000000000000        1673.0000000000000       akaogietal_98                                                                                                                      
 3 capv + 1 co                                                                                                                          24.270000000000000        1673.0000000000000      takafujietal_02 (23.2) (20,21,23)                                                                                                   
  462  153 3 capv + 1 co                                                                                                                           24.270    1673.0 takafujietal_02                         F
 3 capv + 1 co                                                                                                                          26.160000000000000        1873.0000000000000      takafujietal_02 (24.9) (20,21,23)                                                                                                   
  463  154 3 capv + 1 co                                                                                                                           26.160    1873.0 takafujietal_02                         F
 x3 capv + 1 co                                                                                                                         22.600000000000001        1273.0000000000000       takafujietal_02 (22,23,24)                                                                                                         
 x3 capv + 1 co                                                                                                                         22.600000000000001        1673.0000000000000       takafujietal_02 (22,23,24)                                                                                                         
 x3 capv + 1 co                                                                                                                         22.600000000000001        1873.0000000000000       takafujietal_02 (22,23,24)                                                                                                         
 x951 fo +  49 fa                                                                                                                       14.680000000000000        1900.0000000000000        katsuraetal_04a (25) (14.84)                                                                                                      
 x906 fo +  94 fa                                                                                                                       14.100000000000000        1900.0000000000000        katsuraetal_04a (25) (14.26)                                                                                                      
 x863 fo + 137 fa                                                                                                                       13.750000000000000        1900.0000000000000        katsuraetal_04a (25) (13.91)                                                                                                      
 x876 fo + 124 fa                                                                                                                       12.619999999999999        1600.0000000000000        katsuraetal_04a (25) (12.78)                                                                                                      
 x979 fo +  21 fa                                                                                                                       13.699999999999999        1600.0000000000000        katsuraetal_04a (25) (13.86)                                                                                                      
 x915 fo +  85 fa                                                                                                                       12.930000000000000        1600.0000000000000        katsuraetal_04a (25) (13.09)                                                                                                      
 x923 mgwa +  77 fewa                                                                                                                   14.680000000000000        1900.0000000000000        katsuraetal_04a (25) (14.84)                                                                                                      
 x852 mgwa + 148 fewa                                                                                                                   14.100000000000000        1900.0000000000000        katsuraetal_04a (25) (14.26)                                                                                                      
 x792 mgwa + 208 fewa                                                                                                                   13.750000000000000        1900.0000000000000        katsuraetal_04a (25) (13.91)                                                                                                      
 x782 mgwa + 218 fewa                                                                                                                   12.619999999999999        1600.0000000000000        katsuraetal_04a (25) (12.78)                                                                                                      
 x947 mgwa +  53 fewa                                                                                                                   13.699999999999999        1600.0000000000000        katsuraetal_04a (25) (13.86)                                                                                                      
 x840 mgwa + 160 fewa                                                                                                                   12.930000000000000        1600.0000000000000        katsuraetal_04a (25) (13.09)                                                                                                      
 x85 fo + 15 fa                                                                                                                         12.199999999999999        1473.0000000000000       katsuraito_89                                                                                                                      
 x91 mgwa + 9 fewa                                                                                                                      13.500000000000000        1473.0000000000000       katsuraito_89                                                                                                                      
 x80 mgri + 20 feri                                                                                                                     14.400000000000000        1473.0000000000000       katsuraito_89                                                                                                                      
 x96 mgri + 4 feri                                                                                                                      19.199999999999999        1473.0000000000000       katsuraito_89                                                                                                                      
 x90 fo + 10 fa                                                                                                                         12.300000000000001        1873.0000000000000       katsuraito_89                                                                                                                      
 x91 fo + 9 fa                                                                                                                          13.699999999999999        1873.0000000000000       katsuraito_89                                                                                                                      
 x91 fo + 9 fa                                                                                                                          14.100000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x80 fo + 20 fa                                                                                                                         13.199999999999999        1873.0000000000000       katsuraito_89                                                                                                                      
 x86 fo + 14 fa                                                                                                                         13.199999999999999        1873.0000000000000       katsuraito_89                                                                                                                      
 x86 fo + 14 fa                                                                                                                         13.699999999999999        1873.0000000000000       katsuraito_89                                                                                                                      
 x90 mgwa + 10 fewa                                                                                                                     16.000000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x80 mgwa + 20 fewa                                                                                                                     14.100000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x96 mgwa + 4 fewa                                                                                                                      15.000000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x85 mgwa + 15 fewa                                                                                                                     14.100000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x85 mgwa + 15 fewa                                                                                                                     13.699999999999999        1873.0000000000000       katsuraito_89                                                                                                                      
 x86 mgwa + 14 fewa                                                                                                                     14.600000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x91 mgwa + 9 fewa                                                                                                                      14.600000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x45 mgri + 55 feri                                                                                                                     12.199999999999999        1873.0000000000000       katsuraito_89                                                                                                                      
 x45 mgri + 55 feri                                                                                                                     12.000000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x55 mgri + 45 feri                                                                                                                     12.900000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x45 mgri + 55 feri                                                                                                                     11.100000000000000        1873.0000000000000       katsuraito_89                                                                                                                      
 x100 pe + 100 wu + 400 st                                                                                                              25.500000000000000        1373.0000000000000       itotakahashi_89                                                                                                                    
 x80 pe + 120 wu + 400 st                                                                                                               25.000000000000000        1873.0000000000000       itotakahashi_89                                                                                                                    
 x50 mgri + 50 feri                                                                                                                     22.000000000000000        1373.0000000000000       itotakahashi_89                                                                                                                    
 x80 mgri + 20 feri                                                                                                                     24.000000000000000        1373.0000000000000       itotakahashi_89                                                                                                                    
 x90 mgri + 10 feri                                                                                                                     24.000000000000000        1373.0000000000000       itotakahashi_89                                                                                                                    
 x60 mgri + 40 feri                                                                                                                     21.699999999999999        1873.0000000000000       itotakahashi_89                                                                                                                    
 x70 mgri + 30 feri                                                                                                                     22.000000000000000        1873.0000000000000       itotakahashi_89                                                                                                                    
 x80 mgri + 20 feri                                                                                                                     23.100000000000001        1873.0000000000000       itotakahashi_89                                                                                                                    
 x380 mgpv + 20 fepv + 65 pe + 35 wu                                                                                                    25.000000000000000        1373.0000000000000       itotakahashi_89 (9) (93,7,55,45) (95,5,                                                                                            
 x380 mgpv + 20 fepv + 65 pe + 35 wu                                                                                                    25.500000000000000        1373.0000000000000       itotakahashi_89 (9) (94,6,56,44) (95,5,                                                                                            
 x372 mgpv + 28 fepv + 47 pe + 53 wu                                                                                                    24.000000000000000        1873.0000000000000       itotakahashi_89 (9) (93,7,44,56) (93,7,                                                                                            
 x388 mgpv + 12 fepv + 83 pe + 17 wu                                                                                                    25.000000000000000        1873.0000000000000       itotakahashi_89 (9) (97,3,83,17) (97,3,                                                                                            
 x376 mgpv + 24 fepv + 66 pe + 34 wu                                                                                                    25.000000000000000        1873.0000000000000       itotakahashi_89 (9) (93,7,66,34) (94,6,                                                                                            
 x368 mgpv + 32 fepv + 48 pe + 52 wu                                                                                                    25.000000000000000        1873.0000000000000       itotakahashi_89 (9) (92,8,45,55) (92,8,                                                                                            
 x95 mgri +  5 feri + 100 st                                                                                                            21.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x95 mgil +  5 feil                                                                                                                     24.000000000000000        1373.0000000000000       itoyamada_82 (8)                                                                                                                   
 x95 mgil +  5 feil                                                                                                                     25.000000000000000        1373.0000000000000       itoyamada_82 (8)                                                                                                                   
 x95 mgpv +  5 fepv                                                                                                                     27.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x89 mgri + 11 feri + 100 st                                                                                                            21.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x89 mgri + 11 feri + 100 st                                                                                                            23.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x78 mgri + 22 feri + 100 st                                                                                                            22.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x78 mgri + 22 feri + 100 st                                                                                                            23.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x78 mgri + 22 feri + 100 st                                                                                                            25.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x70 mgri + 30 feri + 100 st                                                                                                            23.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x60 mgri + 40 feri + 100 st                                                                                                            22.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x50 mgri + 50 feri + 100 st                                                                                                            21.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x50 pe + 50 wu + 200 st                                                                                                                25.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x50 pe + 50 wu + 200 st                                                                                                                26.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x90 mgil + 10 feil                                                                                                                     23.000000000000000        2073.0000000000000       ohtanietal_91 (11)                                                                                                                 
 x95 mgil +  5 feil                                                                                                                     23.000000000000000        2073.0000000000000       ohtanietal_91 (11)                                                                                                                 
 x95 en +  5 mgts                                                                                                                       3.0000000000000000        1373.0000000000000       boydengland_64                                                                                                                     
 x90 en + 10 mgts                                                                                                                       3.0000000000000000        1398.0000000000000       boydengland_64                                                                                                                     
 x90 en + 10 mgts                                                                                                                       3.0000000000000000        1423.0000000000000       boydengland_64                                                                                                                     
 x90 en + 10 mgts                                                                                                                       3.0000000000000000        1473.0000000000000       boydengland_64                                                                                                                     
 x90 en + 10 mgts                                                                                                                       3.0000000000000000        2023.0000000000000       boydengland_64                                                                                                                     
 x90 en + 10 mgts                                                                                                                       3.0000000000000000        2048.0000000000000       boydengland_64                                                                                                                     
 x85 en + 15 mgts                                                                                                                       3.0000000000000000        1548.0000000000000       boydengland_64                                                                                                                     
 x80 en + 20 mgts                                                                                                                       3.0000000000000000        1623.0000000000000       boydengland_64                                                                                                                     
 x80 en + 20 mgts                                                                                                                       3.0000000000000000        1648.0000000000000       boydengland_64                                                                                                                     
 x80 en + 20 mgts                                                                                                                       3.0000000000000000        1673.0000000000000       boydengland_64                                                                                                                     
 x80 en + 20 mgts                                                                                                                       3.0000000000000000        1998.0000000000000       boydengland_64                                                                                                                     
 x80 en + 20 mgts                                                                                                                       3.0000000000000000        2023.0000000000000       boydengland_64                                                                                                                     
 x75 en + 25 mgts                                                                                                                       3.0000000000000000        1773.0000000000000       boydengland_64                                                                                                                     
 x75 en + 25 mgts                                                                                                                       3.0000000000000000        1823.0000000000000       boydengland_64                                                                                                                     
 x75 en + 25 mgts                                                                                                                       3.0000000000000000        1873.0000000000000       boydengland_64                                                                                                                     
 x75 en + 25 mgts                                                                                                                       3.0000000000000000        1923.0000000000000       boydengland_64                                                                                                                     
 x75 en + 25 mgts                                                                                                                       3.0000000000000000        1973.0000000000000       boydengland_64                                                                                                                     
 x70 en + 30 mgts                                                                                                                       3.0000000000000000        1898.0000000000000       boydengland_64                                                                                                                     
 x70 en + 30 mgts                                                                                                                       3.0000000000000000        1948.0000000000000       boydengland_64                                                                                                                     
 x98 en +  2 mgts                                                                                                                       4.0000000000000000        1373.0000000000000       boydengland_64                                                                                                                     
 x98 en +  2 mgts                                                                                                                       4.9000000000000004        1373.0000000000000       boydengland_64                                                                                                                     
 x85 en + 15 mgts                                                                                                                       2.0000000000000000        1373.0000000000000       boydengland_64                                                                                                                     
 x85 en + 15 mgts                                                                                                                       2.7000000000000002        1373.0000000000000       boydengland_64                                                                                                                     
 x85 en + 15 mgts                                                                                                                       3.0000000000000000        1373.0000000000000       boydengland_64                                                                                                                     
 x80 en + 20 mgts                                                                                                                       2.0000000000000000        1373.0000000000000       boydengland_64                                                                                                                     
 x90 en + 10 mgts                                                                                                                       4.9000000000000004        1873.0000000000000       boydengland_64                                                                                                                     
 x85 en + 15 mgts                                                                                                                       4.0000000000000000        1873.0000000000000       boydengland_64                                                                                                                     
 x78 en + 22 mgts                                                                                                                       3.5000000000000000        1873.0000000000000       boydengland_64                                                                                                                     
 x816 en + 184 mgts                                                                                                                     2.8999999999999999        1773.0000000000000       perkinsetal_81                                                                                                                     
 x882 en + 118 mgts                                                                                                                     3.5000000000000000        1773.0000000000000       perkinsetal_81                                                                                                                     
 x83 gr - 83 py + 500 mgmj                                                                                                              16.600000000000001        1923.0000000000000       gasparik_90                                                                                                                        
 x3244 capv + 126 gr - 126 py + 1000 mgmj                                                                                               18.199999999999999        2123.0000000000000       gasparik_90                                                                                                                        
 x856 en + 178 sp + 144 mgts                                                                                                            2.0000000000000000        1348.0000000000000       danckwerthnewton_78                                                                                                                
 x870 en + 185 sp + 130 mgts                                                                                                            2.0000000000000000        1373.0000000000000       fujii_76                                                                                                                           
 x808 en + 154 sp + 192 mgts                                                                                                            2.3999999999999999        1573.0000000000000       fujii_76                                                                                                                           
 x776 en + 138 sp + 224 mgts                                                                                                            2.5000000000000000        1673.0000000000000       fujii_76                                                                                                                           
 x856 en + 178 sp + 144 mgts                                                                                                            2.0000000000000000        1373.0000000000000       perkinsetal_81                                                                                                                     
 x810 en + 155 sp + 190 mgts                                                                                                            2.2999999999999998        1573.0000000000000       perkinsetal_81 (13)                                                                                                                
 x1000 py + 712 fo                                                                                                                      2.0000000000000000        1348.0000000000000       danckwerthnewton_78                                                                                                                
 x1000 py + 740 fo                                                                                                                      2.0000000000000000        1373.0000000000000       fujii_76                                                                                                                           
 x1000 py + 616 fo                                                                                                                      2.3999999999999999        1573.0000000000000       fujii_76                                                                                                                           
 x1000 py + 552 fo                                                                                                                      2.5000000000000000        1673.0000000000000       fujii_76                                                                                                                           
 x1000 py + 712 fo                                                                                                                      2.1000000000000001        1373.0000000000000       perkinsetal_81                                                                                                                     
 x1000 py + 620 fo                                                                                                                      2.2999999999999998        1573.0000000000000       perkinsetal_81 (13)                                                                                                                
 x32 en + 8 mgts + 6 sp                                                                                                                 2.3999999999999999        1588.0000000000000       perkinsetal_81                                                                                                                     
 x32 en + 8 mgts + 6 sp                                                                                                                 2.2000000000000002        1533.0000000000000       perkinsetal_81                                                                                                                     
 x32 en + 8 mgts + 6 sp                                                                                                                 2.6000000000000001        1648.0000000000000       perkinsetal_81                                                                                                                     
 x32 en + 8 mgts + 6 sp                                                                                                                 2.7000000000000002        1678.0000000000000       perkinsetal_81                                                                                                                     
 x332 en + 68 mgts + 66 sp                                                                                                              2.3999999999999999        1513.0000000000000       perkinsetal_81                                                                                                                     
 x344 en + 56 mgts + 72 sp                                                                                                              2.1499999999999999        1373.0000000000000       perkinsetal_81                                                                                                                     
 x344 en + 56 mgts + 72 sp                                                                                                              2.2000000000000002        1373.0000000000000       perkinsetal_81                                                                                                                     
 x344 en + 56 mgts + 72 sp                                                                                                              2.2400000000000002        1383.0000000000000       perkinsetal_81                                                                                                                     
 x344 en + 56 mgts + 72 sp                                                                                                              2.0000000000000000        1358.0000000000000       perkinsetal_81                                                                                                                     
 x1 py + 1 fo                                                                                                                           2.6400000000000001        1738.0000000000000       perkinsetal_81 (13)                                                                                                                
 x1 py + 1 fo                                                                                                                           2.5600000000000001        1708.0000000000000       perkinsetal_81 (13)                                                                                                                
 x1 py + 1 fo                                                                                                                           2.2700000000000000        1543.0000000000000       perkinsetal_81 (13)                                                                                                                
 x1 py + 1 fo                                                                                                                           2.2900000000000000        1533.0000000000000       perkinsetal_81 (13)                                                                                                                
 x1 py + 1 fo                                                                                                                           2.0499999999999998        1373.0000000000000       perkinsetal_81 (13)                                                                                                                
 x1 py + 1 fo                                                                                                                           2.5200000000000000        1698.0000000000000       perkinsetal_81 (13)                                                                                                                
 x1 py + 1 fo                                                                                                                           2.1499999999999999        1418.0000000000000       perkinsetal_81 (13)                                                                                                                
 x1 py + 1 fo                                                                                                                           1.8799999999999999        1173.0000000000000       danckwerthnewton_78                                                                                                                
 x1 py + 1 fo                                                                                                                           1.9099999999999999        1223.0000000000000       danckwerthnewton_78                                                                                                                
 x1 py + 1 fo                                                                                                                           1.9500000000000000        1273.0000000000000       danckwerthnewton_78                                                                                                                
 x1 py + 1 fo                                                                                                                           1.9800000000000000        1273.0000000000000       danckwerthnewton_78                                                                                                                
 x1 py + 1 fo                                                                                                                           2.0499999999999998        1273.0000000000000       danckwerthnewton_78                                                                                                                
 x1 py + 1 fo                                                                                                                           2.0000000000000000        1323.0000000000000       danckwerthnewton_78                                                                                                                
 x1 py + 1 fo                                                                                                                           2.0400000000000000        1323.0000000000000       danckwerthnewton_78                                                                                                                
 x1 py + 1 fo                                                                                                                           2.0499999999999998        1373.0000000000000       danckwerthnewton_78                                                                                                                
 x9 cen + 91 di                                                                                                                         14.000000000000000        1923.0000000000000       gasparik_89                                                                                                                        
 x9 cen + 91 di                                                                                                                         15.199999999999999        1923.0000000000000       gasparik_89                                                                                                                        
 x50 cen + 50 di                                                                                                                        10.000000000000000        2023.0000000000000       gasparik_90b                                                                                                                       
 x40 cen + 60 di                                                                                                                        10.000000000000000        1923.0000000000000       gasparik_89                                                                                                                        
 x30 cen + 70 di                                                                                                                        10.000000000000000        1823.0000000000000       gasparik_90b                                                                                                                       
 x15 cen + 85 di                                                                                                                        10.000000000000000        1723.0000000000000       gasparik_90b                                                                                                                       
 x5 cen + 95 di                                                                                                                         10.000000000000000        1523.0000000000000       gasparik_90b                                                                                                                       
 x1  cen + 99 di                                                                                                                        1.5000000000000000        1743.0000000000000       carlsonlindsley_88                                                                                                                 
 x10 cen + 90 di                                                                                                                        1.5000000000000000        1743.0000000000000       carlsonlindsley_88                                                                                                                 
 x20 cen + 80 di                                                                                                                        1.5000000000000000        1743.0000000000000       carlsonlindsley_88                                                                                                                 
 x30 cen + 70 di                                                                                                                        1.5000000000000000        1743.0000000000000       carlsonlindsley_88                                                                                                                 
 x40 cen + 60 di                                                                                                                        1.5000000000000000        1743.0000000000000       carlsonlindsley_88                                                                                                                 
 x50 cen + 50 di                                                                                                                        1.5000000000000000        1743.0000000000000       carlsonlindsley_88                                                                                                                 
 x60 cen + 40 di                                                                                                                        1.5000000000000000        1743.0000000000000       carlsonlindsley_88                                                                                                                 
 x70 cen + 30 di                                                                                                                        1.5000000000000000        1743.0000000000000       carlsonlindsley_88                                                                                                                 
 x90  en + 10 odi                                                                                                                       1.5000000000000000        1743.0000000000000       carlsonlindsley_88                                                                                                                 
 x760 en + 240 di + 250 sp                                                                                                              1.7000000000000000        1473.0000000000000       woodholloway_84                                                                                                                    
 x160 gr + 840 py + 100 fo                                                                                                              1.7000000000000000        1473.0000000000000       woodholloway_84                                                                                                                    
 x200 an + 368 fo                                                                                                                      0.80000000000000004        1473.0000000000000       herzberg_mprv                                                                                                                      
 x84 en + 16 mgts + 100 di + 42 sp                                                                                                     0.80000000000000004        1473.0000000000000       herzberg_mprv                                                                                                                      
 1 st                                                                                                                                   101.00000000000000        2250.0000000000000       murakamietal_03                                                                                                                    
  618  155 1 st                                                                                                                                   101.000    2250.0 murakamietal_03                         F
 1 st                                                                                                                                   104.00000000000000        2375.0000000000000       murakamietal_03                                                                                                                    
  619  156 1 st                                                                                                                                   104.000    2375.0 murakamietal_03                         F
 1 st                                                                                                                                   113.00000000000000        2100.0000000000000       murakamietal_03                                                                                                                    
  620  157 1 st                                                                                                                                   113.000    2100.0 murakamietal_03                         F
 1 st                                                                                                                                   116.00000000000000        2250.0000000000000       murakamietal_03                                                                                                                    
  621  158 1 st                                                                                                                                   116.000    2250.0 murakamietal_03                         F
 1 apbo                                                                                                                                 124.00000000000000        2180.0000000000000       murakamietal_03                                                                                                                    
  622  159 1 apbo                                                                                                                                 124.000    2180.0 murakamietal_03                         F
 1 apbo                                                                                                                                 128.00000000000000        2420.0000000000000       murakamietal_03                                                                                                                    
  623  160 1 apbo                                                                                                                                 128.000    2420.0 murakamietal_03                         F
 1 apbo                                                                                                                                 141.00000000000000        2040.0000000000000       murakamietal_03                                                                                                                    
  624  161 1 apbo                                                                                                                                 141.000    2040.0 murakamietal_03                         F
 1 apbo                                                                                                                                 151.00000000000000        2090.0000000000000       murakamietal_03                                                                                                                    
  625  162 1 apbo                                                                                                                                 151.000    2090.0 murakamietal_03                         F
 1 st                                                                                                                                   106.00000000000000        800.00000000000000       murakamietal_03 (28)                                                                                                               
  626  163 1 st                                                                                                                                   106.000     800.0 murakamietal_03                         F
 1 apbo                                                                                                                                 106.00000000000000        800.00000000000000       murakamietal_03 (28)                                                                                                               
  627  164 1 apbo                                                                                                                                 106.000     800.0 murakamietal_03                         F
 1 st                                                                                                                                   127.00000000000000        3000.0000000000000       murakamietal_03 (28)                                                                                                               
  628  165 1 st                                                                                                                                   127.000    3000.0 murakamietal_03                         F
 1 apbo                                                                                                                                 127.00000000000000        3000.0000000000000       murakamietal_03 (28)                                                                                                               
  629  166 1 apbo                                                                                                                                 127.000    3000.0 murakamietal_03                         F
 x1 mgpv                                                                                                                                69.000000000000000        1970.0000000000000       murakamietal_04                                                                                                                    
 x1 mgpv                                                                                                                                73.000000000000000        1700.0000000000000       murakamietal_04                                                                                                                    
 x1 mgpv                                                                                                                                90.000000000000000        2000.0000000000000       murakamietal_04                                                                                                                    
 x1 mgpv                                                                                                                                101.00000000000000        2200.0000000000000       murakamietal_04                                                                                                                    
 x1 mgpv                                                                                                                                105.00000000000000        2250.0000000000000       murakamietal_04                                                                                                                    
 x1 mgpv                                                                                                                                113.00000000000000        2300.0000000000000       murakamietal_04                                                                                                                    
 x1 mppv                                                                                                                                127.00000000000000        2500.0000000000000       murakamietal_04                                                                                                                    
 x1 mppv                                                                                                                                128.00000000000000        2300.0000000000000       murakamietal_04                                                                                                                    
 x1 mppv                                                                                                                                128.00000000000000        2200.0000000000000       murakamietal_04                                                                                                                    
 x1 mppv                                                                                                                                129.00000000000000        2200.0000000000000       murakamietal_04                                                                                                                    
 x1 mppv                                                                                                                                134.00000000000000        2600.0000000000000       murakamietal_04                                                                                                                    
 x1 mgpv                                                                                                                                100.00000000000000        300.00000000000000       tsuchiyaetal_04 (15)                                                                                                               
 x1 mppv                                                                                                                                110.00000000000000        300.00000000000000       tsuchiyaetal_04 (15)                                                                                                               
 x1 mgpv                                                                                                                                132.00000000000000        3000.0000000000000       tsuchiyaetal_04 (15)                                                                                                               
 x1 mppv                                                                                                                                142.00000000000000        3000.0000000000000       tsuchiyaetal_04 (15)                                                                                                               
 1 mgpv                                                                                                                                 122.90000000000001        2800.0000000000000      tatenoetal_09                                                                                                                       
  645  167 1 mgpv                                                                                                                                 122.900    2800.0 tatenoetal_09                           F
 1 mgpv                                                                                                                                 129.09999999999999        3750.0000000000000      tatenoetal_09                                                                                                                       
  646  168 1 mgpv                                                                                                                                 129.100    3750.0 tatenoetal_09                           F
 1 mppv                                                                                                                                 139.40000000000001        3680.0000000000000      tatenoetal_09                                                                                                                       
  647  169 1 mppv                                                                                                                                 139.400    3680.0 tatenoetal_09                           F
 1 mppv                                                                                                                                 144.00000000000000        3960.0000000000000      tatenoetal_09                                                                                                                       
  648  170 1 mppv                                                                                                                                 144.000    3960.0 tatenoetal_09                           F
 1 mppv                                                                                                                                 136.09999999999999        1640.0000000000000      tatenoetal_09                                                                                                                       
  649  171 1 mppv                                                                                                                                 136.100    1640.0 tatenoetal_09                           F
 1 mppv                                                                                                                                 146.40000000000001        2560.0000000000000      tatenoetal_09                                                                                                                       
  650  172 1 mppv                                                                                                                                 146.400    2560.0 tatenoetal_09                           F
 1 mppv                                                                                                                                 145.09999999999999        3200.0000000000000      tatenoetal_09                                                                                                                       
  651  173 1 mppv                                                                                                                                 145.100    3200.0 tatenoetal_09                           F
 1 mppv                                                                                                                                 158.50000000000000        2690.0000000000000      tatenoetal_09                                                                                                                       
  652  174 1 mppv                                                                                                                                 158.500    2690.0 tatenoetal_09                           F
 1 mppv                                                                                                                                 169.09999999999999        4100.0000000000000      tatenoetal_09                                                                                                                       
  653  175 1 mppv                                                                                                                                 169.100    4100.0 tatenoetal_09                           F
 1 mppv                                                                                                                                 171.00000000000000        4380.0000000000000      tatenoetal_09                                                                                                                       
  654  176 1 mppv                                                                                                                                 171.000    4380.0 tatenoetal_09                           F
 1 mgpv                                                                                                                                 149.30000000000001        4200.0000000000000      tatenoetal_09                                                                                                                       
  655  177 1 mgpv                                                                                                                                 149.300    4200.0 tatenoetal_09                           F
 1 mgpv                                                                                                                                 131.69999999999999        3680.0000000000000      tatenoetal_09                                                                                                                       
  656  178 1 mgpv                                                                                                                                 131.700    3680.0 tatenoetal_09                           F
 1 mgpv                                                                                                                                 119.00000000000000        2520.0000000000000      tatenoetal_09                                                                                                                       
  657  179 1 mgpv                                                                                                                                 119.000    2520.0 tatenoetal_09                           F
 1 mppv                                                                                                                                 133.19999999999999        2170.0000000000000      tatenoetal_09                                                                                                                       
  658  180 1 mppv                                                                                                                                 133.200    2170.0 tatenoetal_09                           F
 1 mppv                                                                                                                                 135.80000000000001        2750.0000000000000      tatenoetal_09                                                                                                                       
  659  181 1 mppv                                                                                                                                 135.800    2750.0 tatenoetal_09                           F
 x1 mgpv                                                                                                                                92.299999999999997        1510.0000000000000       hiroseetal_06b                                                                                                                     
 x1 mgpv                                                                                                                                100.40000000000001        1700.0000000000000       hiroseetal_06b                                                                                                                     
 x1 mppv                                                                                                                                118.00000000000000        1800.0000000000000       hiroseetal_06b                                                                                                                     
 x1 mppv                                                                                                                                124.90000000000001        2000.0000000000000       hiroseetal_06b                                                                                                                     
 x1 mppv                                                                                                                                116.40000000000001        2040.0000000000000       hiroseetal_06b                                                                                                                     
 x1 mgpv                                                                                                                                111.80000000000000        2120.0000000000000       hiroseetal_06b                                                                                                                     
 x1 mppv                                                                                                                                126.09999999999999        2360.0000000000000       hiroseetal_06b                                                                                                                     
 x1 mgpv                                                                                                                                130.00000000000000        2000.0000000000000       catallietal_09                                                                                                                     
 x1 mppv                                                                                                                                130.00000000000000        2000.0000000000000       catallietal_09                                                                                                                     
 x1 mgpv                                                                                                                                136.69999999999999        3000.0000000000000       catallietal_09                                                                                                                     
 x1 mppv                                                                                                                                136.69999999999999        3000.0000000000000       catallietal_09                                                                                                                     
 x50 mgpv + 50 fepv                                                                                                                     86.799999999999997        1800.0000000000000       tatenoetal_07                                                                                                                      
 x50 mgpv + 50 fepv                                                                                                                     85.299999999999997        1900.0000000000000       tatenoetal_07                                                                                                                      
 x50 mgpv + 50 fepv                                                                                                                     86.500000000000000        2000.0000000000000       tatenoetal_07                                                                                                                      
 x50 mgpv + 50 fepv                                                                                                                     93.700000000000003        1500.0000000000000       tatenoetal_07                                                                                                                      
 x50 mgpv + 50 fepv                                                                                                                     95.900000000000006        1800.0000000000000       tatenoetal_07                                                                                                                      
 x50 mgpv + 50 fepv                                                                                                                     97.500000000000000        1830.0000000000000       tatenoetal_07                                                                                                                      
 x50 mgpv + 50 fepv                                                                                                                     107.59999999999999        2330.0000000000000       tatenoetal_07                                                                                                                      
 x50 mgpv + 50 fepv                                                                                                                     107.00000000000000        2100.0000000000000       tatenoetal_07                                                                                                                      
 x50 mgpv + 50 fepv                                                                                                                     108.00000000000000        2200.0000000000000       tatenoetal_07                                                                                                                      
 x26 mgpv + 74 fepv                                                                                                                     70.000000000000000        2000.0000000000000       dorfmanetal_13a                                                                                                                    
 x26 mgpv + 74 fepv                                                                                                                     80.000000000000000        2000.0000000000000       dorfmanetal_13a                                                                                                                    
 x26 mgpv + 74 fepv                                                                                                                     82.000000000000000        2000.0000000000000       dorfmanetal_13a                                                                                                                    
 x2 fepv + 1 flpv                                                                                                                       75.000000000000000        2000.0000000000000       dorfmanetal_13a artificial datum to for                                                                                            
 x80 mppv + 20 fppv                                                                                                                     147.00000000000000        2000.0000000000000       maoetal_05                                                                                                                         
 x60 mppv + 40 fppv                                                                                                                     141.00000000000000        2000.0000000000000       maoetal_05                                                                                                                         
 x40 mppv + 60 fppv                                                                                                                     124.00000000000000        2000.0000000000000       maoetal_05                                                                                                                         
 x20 mppv + 80 fppv                                                                                                                     142.00000000000000        2000.0000000000000       maoetal_05                                                                                                                         
 x1 co                                                                                                                                  89.000000000000000        1.0000000000000000       tsuchiyaetal_05b                                                                                                                   
 x1 alpv                                                                                                                                89.000000000000000        1.0000000000000000       tsuchiyaetal_05b                                                                                                                   
 x1 co                                                                                                                                  72.000000000000000        4000.0000000000000       tsuchiyaetal_05b                                                                                                                   
 x1 alpv                                                                                                                                72.000000000000000        4000.0000000000000       tsuchiyaetal_05b                                                                                                                   
 x1 alpv                                                                                                                                150.00000000000000        1.0000000000000000       tsuchiyaetal_05b                                                                                                                   
 x1 appv                                                                                                                                150.00000000000000        1.0000000000000000       tsuchiyaetal_05b                                                                                                                   
 x1 alpv                                                                                                                                93.000000000000000        4000.0000000000000       tsuchiyaetal_05b                                                                                                                   
 x1 appv                                                                                                                                93.000000000000000        4000.0000000000000       tsuchiyaetal_05b                                                                                                                   
 x1 co                                                                                                                                  120.00000000000000        300.00000000000000       tsuchiyaetal_05b                                                                                                                   
 x1 appv                                                                                                                                120.00000000000000        300.00000000000000       tsuchiyaetal_05b                                                                                                                   
 x1 co                                                                                                                                  80.000000000000000        4000.0000000000000       tsuchiyaetal_05b (16)                                                                                                              
 x1 appv                                                                                                                                80.000000000000000        4000.0000000000000       tsuchiyaetal_05b (16)                                                                                                              
 x1 alpv                                                                                                                                110.00000000000000        300.00000000000000       tsuchiyaetal_05b (12)                                                                                                              
 x1 appv                                                                                                                                120.00000000000000        300.00000000000000       tsuchiyaetal_05b (12)                                                                                                              
 x1 alpv                                                                                                                                102.00000000000000        3000.0000000000000       tsuchiyaetal_05b (16)                                                                                                              
 x1 appv                                                                                                                                112.00000000000000        3000.0000000000000       tsuchiyaetal_05b (16)                                                                                                              
 x1 sp                                                                                                                                  14.699999999999999        1473.0000000000000       akaogietal_99                                                                                                                      
 x1 sp                                                                                                                                  15.100000000000000        1473.0000000000000       akaogietal_99                                                                                                                      
 x1 sp                                                                                                                                  15.100000000000000        1573.0000000000000       akaogietal_99                                                                                                                      
 x1 sp                                                                                                                                  14.699999999999999        1873.0000000000000       akaogietal_99                                                                                                                      
 x1 sp                                                                                                                                  15.500000000000000        1873.0000000000000       akaogietal_99                                                                                                                      
 x1 sp                                                                                                                                  15.900000000000000        1873.0000000000000       akaogietal_99                                                                                                                      
 x1 sp                                                                                                                                  15.100000000000000        1573.0000000000000       akaogietal_99                                                                                                                      
 1 pe + 4 co                                                                                                                            20.000000000000000        1473.0000000000000      akaogietal_99                                                                                                                       
  711  182 1 pe + 4 co                                                                                                                             20.000    1473.0 akaogietal_99                           F
 x1 pe + 4 co                                                                                                                           15.500000000000000        1573.0000000000000       akaogietal_99                                                                                                                      
 x1 pe + 4 co                                                                                                                           15.500000000000000        1623.0000000000000       akaogietal_99                                                                                                                      
 1 pe + 4 co                                                                                                                            27.000000000000000        1673.0000000000000      akaogietal_99                                                                                                                       
  714  183 1 pe + 4 co                                                                                                                             27.000    1673.0 akaogietal_99                           F
 1 pe + 4 co                                                                                                                            26.000000000000000        1873.0000000000000      akaogietal_99                                                                                                                       
  715  184 1 pe + 4 co                                                                                                                             26.000    1873.0 akaogietal_99                           F
 1 pe + 4 co                                                                                                                            45.000000000000000        1.0000000000000000      onoetal_08                                                                                                                          
  716  185 1 pe + 4 co                                                                                                                             45.000       1.0 onoetal_08                              F
 x1 pe + 4 co                                                                                                                           15.500000000000000        1573.0000000000000       akaogietal_99                                                                                                                      
 x1 pe + 4 co                                                                                                                           15.500000000000000        1623.0000000000000       akaogietal_99                                                                                                                      
 x1 pe + 4 co                                                                                                                           15.900000000000000        1673.0000000000000       akaogietal_99                                                                                                                      
 x1 pe + 4 co                                                                                                                           16.199999999999999        1873.0000000000000       akaogietal_99                                                                                                                      
 1 mgcf                                                                                                                                 27.000000000000000        2073.0000000000000      akaogietal_99                                                                                                                       
  721  186 1 mgcf                                                                                                                                  27.000    2073.0 akaogietal_99                           F
 1 mgcf                                                                                                                                 27.000000000000000        2173.0000000000000      akaogietal_99                                                                                                                       
  722  187 1 mgcf                                                                                                                                  27.000    2173.0 akaogietal_99                           F
 1 mgcf                                                                                                                                 27.000000000000000        1873.0000000000000      akaogietal_99                                                                                                                       
  723  188 1 mgcf                                                                                                                                  27.000    1873.0 akaogietal_99                           F
 1 mgcf                                                                                                                                 45.000000000000000        1.0000000000000000      onoetal_08                                                                                                                          
  724  189 1 mgcf                                                                                                                                  45.000       1.0 onoetal_08                              F
 x1 pe + 4 co                                                                                                                           24.000000000000000        1773.0000000000000       irifuneetal_02 (1) (22.1)                                                                                                          
 x1 pe + 4 co                                                                                                                           27.399999999999999        1873.0000000000000       irifuneetal_02 (1) (25.0)                                                                                                          
 x1 pe + 4 co                                                                                                                           27.399999999999999        1273.0000000000000       irifuneetal_02 (1) (25.9)                                                                                                          
 x1 pe + 4 co                                                                                                                           27.399999999999999        1373.0000000000000       irifuneetal_02 (1) (25.8)                                                                                                          
 x1 pe + 4 co                                                                                                                           26.800000000000001        1473.0000000000000       irifuneetal_02 (1) (25.1)                                                                                                          
 x1 pe + 4 co                                                                                                                           26.000000000000000        1673.0000000000000       irifuneetal_02 (1) (24.1)                                                                                                          
 x1 pe + 4 co                                                                                                                           27.600000000000001        1673.0000000000000       irifuneetal_02 (1) (25.5)                                                                                                          
 x1 mgcf                                                                                                                                33.600000000000001        1773.0000000000000       irifuneetal_02 (1) (30.9)                                                                                                          
 x1 mgcf                                                                                                                                37.200000000000003        1773.0000000000000       irifuneetal_02 (1) (34.4)                                                                                                          
 x1 mgcf                                                                                                                                40.899999999999999        1873.0000000000000       irifuneetal_02 (1) (36.3)                                                                                                          
 x1 mgcf                                                                                                                                27.699999999999999        1273.0000000000000       irifuneetal_02 (1) (26.2)                                                                                                          
 x1 mgcf                                                                                                                                27.800000000000001        1473.0000000000000       irifuneetal_02 (1) (26.0)                                                                                                          
 x1 mgcf                                                                                                                                27.899999999999999        1673.0000000000000       irifuneetal_02 (1) (25.8)                                                                                                          
 1 jd + 1 st                                                                                                                            22.000000000000000        1073.0000000000000      yagietal_94                                                                                                                         
  738  190 1 jd + 1 st                                                                                                                             22.000    1073.0 yagietal_94                             F
 1 jd + 1 st                                                                                                                            22.000000000000000        1273.0000000000000      yagietal_94                                                                                                                         
  739  191 1 jd + 1 st                                                                                                                             22.000    1273.0 yagietal_94                             F
 1 jd + 1 st                                                                                                                            22.000000000000000        1473.0000000000000      yagietal_94                                                                                                                         
  740  192 1 jd + 1 st                                                                                                                             22.000    1473.0 yagietal_94                             F
 1 nacf + 2 st                                                                                                                          23.000000000000000        1273.0000000000000      yagietal_94                                                                                                                         
  741  193 1 nacf + 2 st                                                                                                                           23.000    1273.0 yagietal_94                             F
 1 nacf + 2 st                                                                                                                          23.000000000000000        1473.0000000000000      yagietal_94                                                                                                                         
  742  194 1 nacf + 2 st                                                                                                                           23.000    1473.0 yagietal_94                             F
 x1 jd + 1 st                                                                                                                           22.000000000000000        1873.0000000000000       liu_06                                                                                                                             
 x1 jd + 1 st                                                                                                                           22.000000000000000        2073.0000000000000       liu_06                                                                                                                             
 x1 jd + 1 st                                                                                                                           22.000000000000000        2273.0000000000000       liu_06                                                                                                                             
 x1 jd + 1 st                                                                                                                           22.000000000000000        2473.0000000000000       liu_06                                                                                                                             
 x1 nacf + 2 st                                                                                                                         25.000000000000000        1673.0000000000000       liu_06                                                                                                                             
 x1 nacf + 2 st                                                                                                                         25.000000000000000        1873.0000000000000       liu_06                                                                                                                             
 x1 nacf + 2 st                                                                                                                         25.000000000000000        2073.0000000000000       liu_06                                                                                                                             
 x1 nacf + 2 st                                                                                                                         25.000000000000000        2273.0000000000000       liu_06                                                                                                                             
 1 ab                                                                                                                                   1.6000000000000001        873.00000000000000      holland_80                                                                                                                          
  751  195 1 ab                                                                                                                                     1.600     873.0 holland_80                              F
 1 jd + 1 qtz                                                                                                                           1.6499999999999999        873.00000000000000      holland_80                                                                                                                          
  752  196 1 jd + 1 qtz                                                                                                                             1.650     873.0 holland_80                              F
 1 ab                                                                                                                                   2.1000000000000001        1073.0000000000000      holland_80                                                                                                                          
  753  197 1 ab                                                                                                                                     2.100    1073.0 holland_80                              F
 1 jd + 1 qtz                                                                                                                           2.2000000000000002        1073.0000000000000      holland_80                                                                                                                          
  754  198 1 jd + 1 qtz                                                                                                                             2.200    1073.0 holland_80                              F
 1 ab                                                                                                                                   2.3500000000000001        1173.0000000000000      holland_80                                                                                                                          
  755  199 1 ab                                                                                                                                     2.350    1173.0 holland_80                              F
 1 jd + 1 qtz                                                                                                                           2.5000000000000000        1173.0000000000000      holland_80                                                                                                                          
  756  200 1 jd + 1 qtz                                                                                                                             2.500    1173.0 holland_80                              F
 1 ab                                                                                                                                   2.6000000000000001        1273.0000000000000      holland_80                                                                                                                          
  757  201 1 ab                                                                                                                                     2.600    1273.0 holland_80                              F
 1 jd + 1 qtz                                                                                                                           2.7500000000000000        1273.0000000000000      holland_80                                                                                                                          
  758  202 1 jd + 1 qtz                                                                                                                             2.750    1273.0 holland_80                              F
 1 ab                                                                                                                                   2.7999999999999998        1373.0000000000000      holland_80                                                                                                                          
  759  203 1 ab                                                                                                                                     2.800    1373.0 holland_80                              F
 1 ab                                                                                                                                   2.8999999999999999        1373.0000000000000      holland_80                                                                                                                          
  760  204 1 ab                                                                                                                                     2.900    1373.0 holland_80                              F
 1 jd + 1 qtz                                                                                                                           3.0000000000000000        1373.0000000000000      holland_80                                                                                                                          
  761  205 1 jd + 1 qtz                                                                                                                             3.000    1373.0 holland_80                              F
 1 ab                                                                                                                                   3.1000000000000001        1473.0000000000000      holland_80                                                                                                                          
  762  206 1 ab                                                                                                                                     3.100    1473.0 holland_80                              F
 1 jd + 1 qtz                                                                                                                           3.2999999999999998        1473.0000000000000      holland_80                                                                                                                          
  763  207 1 jd + 1 qtz                                                                                                                             3.300    1473.0 holland_80                              F
 1 coes                                                                                                                                 7.9100000000000001        1282.0000000000000      zhangetal_96                                                                                                                        
  764  208 1 coes                                                                                                                                   7.910    1282.0 zhangetal_96                            F
 1 coes                                                                                                                                 7.9900000000000002        1258.0000000000000      zhangetal_96                                                                                                                        
  765  209 1 coes                                                                                                                                   7.990    1258.0 zhangetal_96                            F
 1 coes                                                                                                                                 8.3599999999999994        1297.0000000000000      zhangetal_96                                                                                                                        
  766  210 1 coes                                                                                                                                   8.360    1297.0 zhangetal_96                            F
 1 coes                                                                                                                                 8.4700000000000006        1307.0000000000000      zhangetal_96                                                                                                                        
  767  211 1 coes                                                                                                                                   8.470    1307.0 zhangetal_96                            F
 1 coes                                                                                                                                 8.6199999999999992        1507.0000000000000      zhangetal_96                                                                                                                        
  768  212 1 coes                                                                                                                                   8.620    1507.0 zhangetal_96                            F
 1 st                                                                                                                                   9.6999999999999993        881.00000000000000      zhangetal_96                                                                                                                        
  769  213 1 st                                                                                                                                     9.700     881.0 zhangetal_96                            F
 1 st                                                                                                                                   9.8100000000000005        999.00000000000000      zhangetal_96                                                                                                                        
  770  214 1 st                                                                                                                                     9.810     999.0 zhangetal_96                            F
 1 coes                                                                                                                                 8.9299999999999997        1430.0000000000000      zhangetal_96                                                                                                                        
  771  215 1 coes                                                                                                                                   8.930    1430.0 zhangetal_96                            F
 1 coes                                                                                                                                 8.7899999999999991        1439.0000000000000      zhangetal_96                                                                                                                        
  772  216 1 coes                                                                                                                                   8.790    1439.0 zhangetal_96                            F
 1 coes                                                                                                                                 9.0399999999999991        1476.0000000000000      zhangetal_96                                                                                                                        
  773  217 1 coes                                                                                                                                   9.040    1476.0 zhangetal_96                            F
 1 st                                                                                                                                   11.359999999999999        800.00000000000000      zhangetal_96                                                                                                                        
  774  218 1 st                                                                                                                                    11.360     800.0 zhangetal_96                            F
 1 coes                                                                                                                                 9.7599999999999998        1703.0000000000000      zhangetal_96                                                                                                                        
  775  219 1 coes                                                                                                                                   9.760    1703.0 zhangetal_96                            F
 1 st                                                                                                                                   10.320000000000000        871.00000000000000      zhangetal_96                                                                                                                        
  776  220 1 st                                                                                                                                    10.320     871.0 zhangetal_96                            F
 1 st                                                                                                                                   9.3499999999999996        973.00000000000000      zhangetal_96                                                                                                                        
  777  221 1 st                                                                                                                                     9.350     973.0 zhangetal_96                            F
 1 st                                                                                                                                   9.0600000000000005        1373.0000000000000      zhangetal_96                                                                                                                        
  778  222 1 st                                                                                                                                     9.060    1373.0 zhangetal_96                            F
 1 coes                                                                                                                                 8.6999999999999993        1373.0000000000000      zhangetal_96                                                                                                                        
  779  223 1 coes                                                                                                                                   8.700    1373.0 zhangetal_96                            F
 1 coes                                                                                                                                 8.1699999999999999        1275.0000000000000      zhangetal_96                                                                                                                        
  780  224 1 coes                                                                                                                                   8.170    1275.0 zhangetal_96                            F
 1 coes                                                                                                                                 9.3000000000000007        1573.0000000000000      zhangetal_96                                                                                                                        
  781  225 1 coes                                                                                                                                   9.300    1573.0 zhangetal_96                            F
 1 st                                                                                                                                   9.3200000000000003        1478.0000000000000      zhangetal_96                                                                                                                        
  782  226 1 st                                                                                                                                     9.320    1478.0 zhangetal_96                            F
 1 st                                                                                                                                   9.7100000000000009        1484.0000000000000      zhangetal_96                                                                                                                        
  783  227 1 st                                                                                                                                     9.710    1484.0 zhangetal_96                            F
 1 st                                                                                                                                   9.6300000000000008        1572.0000000000000      zhangetal_96                                                                                                                        
  784  228 1 st                                                                                                                                     9.630    1572.0 zhangetal_96                            F
 1 coes                                                                                                                                 10.039999999999999        1803.0000000000000      zhangetal_96                                                                                                                        
  785  229 1 coes                                                                                                                                  10.040    1803.0 zhangetal_96                            F
 1 coes                                                                                                                                 7.7100000000000000        1258.0000000000000      zhangetal_96                                                                                                                        
  786  230 1 coes                                                                                                                                   7.710    1258.0 zhangetal_96                            F
 1 coes                                                                                                                                 7.7400000000000002        1233.0000000000000      zhangetal_96                                                                                                                        
  787  231 1 coes                                                                                                                                   7.740    1233.0 zhangetal_96                            F
 1 qtz                                                                                                                                  2.4600000000000000        673.00000000000000      bohlenboettcher_82                                                                                                                  
  788  232 1 qtz                                                                                                                                    2.460     673.0 bohlenboettcher_82                      F
 1 qtz                                                                                                                                  2.5000000000000000        773.00000000000000      bohlenboettcher_82                                                                                                                  
  789  233 1 qtz                                                                                                                                    2.500     773.0 bohlenboettcher_82                      F
 1 qtz                                                                                                                                  2.5400000000000000        773.00000000000000      bohlenboettcher_82                                                                                                                  
  790  234 1 qtz                                                                                                                                    2.540     773.0 bohlenboettcher_82                      F
 1 qtz                                                                                                                                  2.6200000000000001        873.00000000000000      bohlenboettcher_82                                                                                                                  
  791  235 1 qtz                                                                                                                                    2.620     873.0 bohlenboettcher_82                      F
 1 qtz                                                                                                                                  2.6800000000000002        973.00000000000000      bohlenboettcher_82                                                                                                                  
  792  236 1 qtz                                                                                                                                    2.680     973.0 bohlenboettcher_82                      F
 1 qtz                                                                                                                                  2.7799999999999998        1073.0000000000000      bohlenboettcher_82                                                                                                                  
  793  237 1 qtz                                                                                                                                    2.780    1073.0 bohlenboettcher_82                      F
 1 qtz                                                                                                                                  2.8500000000000001        1173.0000000000000      bohlenboettcher_82                                                                                                                  
  794  238 1 qtz                                                                                                                                    2.850    1173.0 bohlenboettcher_82                      F
 1 qtz                                                                                                                                  2.8500000000000001        1173.0000000000000      bohlenboettcher_82                                                                                                                  
  795  239 1 qtz                                                                                                                                    2.850    1173.0 bohlenboettcher_82                      F
 1 qtz                                                                                                                                  2.9300000000000002        1273.0000000000000      bohlenboettcher_82                                                                                                                  
  796  240 1 qtz                                                                                                                                    2.930    1273.0 bohlenboettcher_82                      F
 1 qtz                                                                                                                                  2.9500000000000002        1273.0000000000000      bohlenboettcher_82                                                                                                                  
  797  241 1 qtz                                                                                                                                    2.950    1273.0 bohlenboettcher_82                      F
 1 qtz                                                                                                                                  2.4600000000000000        673.00000000000000      bohlenboettcher_82                                                                                                                  
  798  242 1 qtz                                                                                                                                    2.460     673.0 bohlenboettcher_82                      F
 1 coes                                                                                                                                 2.4800000000000000        673.00000000000000      bohlenboettcher_82                                                                                                                  
  799  243 1 coes                                                                                                                                   2.480     673.0 bohlenboettcher_82                      F
 1 coes                                                                                                                                 2.5600000000000001        773.00000000000000      bohlenboettcher_82                                                                                                                  
  800  244 1 coes                                                                                                                                   2.560     773.0 bohlenboettcher_82                      F
 1 coes                                                                                                                                 2.5800000000000001        773.00000000000000      bohlenboettcher_82                                                                                                                  
  801  245 1 coes                                                                                                                                   2.580     773.0 bohlenboettcher_82                      F
 1 coes                                                                                                                                 2.6499999999999999        873.00000000000000      bohlenboettcher_82                                                                                                                  
  802  246 1 coes                                                                                                                                   2.650     873.0 bohlenboettcher_82                      F
 1 coes                                                                                                                                 2.7200000000000002        973.00000000000000      bohlenboettcher_82                                                                                                                  
  803  247 1 coes                                                                                                                                   2.720     973.0 bohlenboettcher_82                      F
 1 coes                                                                                                                                 2.7599999999999998        973.00000000000000      bohlenboettcher_82                                                                                                                  
  804  248 1 coes                                                                                                                                   2.760     973.0 bohlenboettcher_82                      F
 1 coes                                                                                                                                 2.7999999999999998        1073.0000000000000      bohlenboettcher_82                                                                                                                  
  805  249 1 coes                                                                                                                                   2.800    1073.0 bohlenboettcher_82                      F
 1 coes                                                                                                                                 2.8700000000000001        1173.0000000000000      bohlenboettcher_82                                                                                                                  
  806  250 1 coes                                                                                                                                   2.870    1173.0 bohlenboettcher_82                      F
 1 coes                                                                                                                                 2.8999999999999999        1173.0000000000000      bohlenboettcher_82                                                                                                                  
  807  251 1 coes                                                                                                                                   2.900    1173.0 bohlenboettcher_82                      F
 1 coes                                                                                                                                 2.8799999999999999        1173.0000000000000      bohlenboettcher_82                                                                                                                  
  808  252 1 coes                                                                                                                                   2.880    1173.0 bohlenboettcher_82                      F
 1 coes                                                                                                                                 2.9800000000000000        1273.0000000000000      bohlenboettcher_82                                                                                                                  
  809  253 1 coes                                                                                                                                   2.980    1273.0 bohlenboettcher_82                      F
 x1 qtz                                                                                                                                 2.6040000000000001        872.70000000000005       mirwaldmassone_80                                                                                                                  
 x1 qtz                                                                                                                                 2.7980000000000000        1074.4800000000000       mirwaldmassone_80                                                                                                                  
 x1 qtz                                                                                                                                 2.9510000000000001        1276.2600000000000       mirwaldmassone_80                                                                                                                  
 x1 qtz                                                                                                                                 3.0960000000000001        1378.2000000000000       mirwaldmassone_80                                                                                                                  
 x1 qtz                                                                                                                                 3.1930000000000001        1478.0500000000000       mirwaldmassone_80                                                                                                                  
 x1 qtz                                                                                                                                 3.4270000000000000        1681.9100000000001       mirwaldmassone_80                                                                                                                  
 x1 qtz                                                                                                                                 3.2820000000000000        1725.5999999999999       mirwaldmassone_80                                                                                                                  
 x1 qtz                                                                                                                                 3.6120000000000001        1788.0000000000000       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                2.6450000000000000        874.77999999999997       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                2.8460000000000001        1074.4800000000000       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                3.0800000000000001        1276.2600000000000       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                3.1290000000000000        1378.2000000000000       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                3.2410000000000001        1480.1300000000001       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                3.2980000000000000        1532.1300000000001       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                3.3540000000000001        1582.0599999999999       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                3.4670000000000001        1681.9100000000001       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                3.5320000000000000        1723.5200000000000       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                3.6200000000000001        1788.0000000000000       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                3.7170000000000001        1858.7300000000000       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                3.7500000000000000        1887.8499999999999       mirwaldmassone_80                                                                                                                  
 x1 coes                                                                                                                                3.7740000000000000        1910.7400000000000       mirwaldmassone_80                                                                                                                  
 x1 cats                                                                                                                                1.2949999999999999        1462.3499999999999       haysetal_66                                                                                                                        
 x1 cats                                                                                                                                1.6390000000000000        1522.7000000000000       haysetal_66                                                                                                                        
 x1 cats                                                                                                                                2.4249999999999998        1675.3699999999999       haysetal_66                                                                                                                        
 x1 cats                                                                                                                                2.9300000000000002        1726.8499999999999       haysetal_66                                                                                                                        
 x1 gr + 2 co                                                                                                                           1.4419999999999999        1462.3499999999999       haysetal_66                                                                                                                        
 x1 gr + 2 co                                                                                                                           1.7860000000000000        1521.8199999999999       haysetal_66                                                                                                                        
 x1 gr + 2 co                                                                                                                           2.7189999999999999        1675.3699999999999       haysetal_66                                                                                                                        
 x1 gr + 2 co                                                                                                                           3.4910000000000001        1773.8900000000001       haysetal_66                                                                                                                        
 x1 cats                                                                                                                                1.1759999999999999        1464.1500000000001       gasparik_81 quoted by woodholloway_84                                                                                              
 x1 cats                                                                                                                                1.6870000000000001        1573.0000000000000       gasparik_81 quoted by woodholloway_84                                                                                              
 x1 cats                                                                                                                                2.1130000000000000        1673.0000000000000       gasparik_81 quoted by woodholloway_84                                                                                              
 x1 gr + 2 co                                                                                                                           1.2529999999999999        1464.1500000000001       gasparik_81 quoted by woodholloway_84                                                                                              
 x1 gr + 2 co                                                                                                                           1.7709999999999999        1573.0000000000000       gasparik_81 quoted by woodholloway_84                                                                                              
 x1 gr + 2 co                                                                                                                           2.2389999999999999        1673.0000000000000       gasparik_81 quoted by woodholloway_84                                                                                              
 1 cats                                                                                                                                 1.7200000000000000        1573.0000000000000      gasparik_84a                                                                                                                        
  845  254 1 cats                                                                                                                                   1.720    1573.0 gasparik_84a                            F
 1 cats                                                                                                                                 2.2679999999999998        1673.0000000000000      gasparik_84a                                                                                                                        
  846  255 1 cats                                                                                                                                   2.268    1673.0 gasparik_84a                            F
 1 cats                                                                                                                                 2.8510000000000000        1773.0000000000000      gasparik_84a                                                                                                                        
  847  256 1 cats                                                                                                                                   2.851    1773.0 gasparik_84a                            F
 1 gr + 2 co                                                                                                                            1.7669999999999999        1573.0000000000000      gasparik_84a                                                                                                                        
  848  257 1 gr + 2 co                                                                                                                              1.767    1573.0 gasparik_84a                            F
 1 gr + 2 co                                                                                                                            2.3250000000000002        1673.0000000000000      gasparik_84a                                                                                                                        
  849  258 1 gr + 2 co                                                                                                                              2.325    1673.0 gasparik_84a                            F
 1 gr + 2 co                                                                                                                            2.8799999999999999        1773.0000000000000      gasparik_84a                                                                                                                        
  850  259 1 gr + 2 co                                                                                                                              2.880    1773.0 gasparik_84a                            F
 1 fa + 1 qtz                                                                                                                           1.1000000000000001        1073.0000000000000      bohlenetal_80                                                                                                                       
  851  260 1 fa + 1 qtz                                                                                                                             1.100    1073.0 bohlenetal_80                           F
 1 fa + 1 qtz                                                                                                                           1.1799999999999999        1123.0000000000000      bohlenetal_80                                                                                                                       
  852  261 1 fa + 1 qtz                                                                                                                             1.180    1123.0 bohlenetal_80                           F
 1 fa + 1 qtz                                                                                                                           1.2000000000000000        1173.0000000000000      bohlenetal_80                                                                                                                       
  853  262 1 fa + 1 qtz                                                                                                                             1.200    1173.0 bohlenetal_80                           F
 1 fa + 1 qtz                                                                                                                           1.3999999999999999        1273.0000000000000      bohlenetal_80                                                                                                                       
  854  263 1 fa + 1 qtz                                                                                                                             1.400    1273.0 bohlenetal_80                           F
 1 fs                                                                                                                                   1.3500000000000001        1173.0000000000000      bohlenetal_80                                                                                                                       
  855  264 1 fs                                                                                                                                     1.350    1173.0 bohlenetal_80                           F
 1 fs                                                                                                                                   1.4500000000000000        1273.0000000000000      bohlenetal_80                                                                                                                       
  856  265 1 fs                                                                                                                                     1.450    1273.0 bohlenetal_80                           F
 1 fs                                                                                                                                   1.5300000000000000        1323.0000000000000      bohlenetal_80                                                                                                                       
  857  266 1 fs                                                                                                                                     1.530    1323.0 bohlenetal_80                           F
 x1 gr + 2 al                                                                                                                          0.69999999999999996        1173.0000000000000       bohlenetal_83                                                                                                                      
 x1 gr + 2 al                                                                                                                          0.58999999999999997        1173.0000000000000       bohlenetal_83                                                                                                                      
 x1 gr + 2 al                                                                                                                          0.69999999999999996        1273.0000000000000       bohlenetal_83                                                                                                                      
 x1 fa + 1 an                                                                                                                          0.50000000000000000        1173.0000000000000       bohlenetal_83                                                                                                                      
 x1 fa + 1 an                                                                                                                          0.58999999999999997        1223.0000000000000       bohlenetal_83                                                                                                                      
 x1 fa + 1 an                                                                                                                          0.60999999999999999        1223.0000000000000       bohlenetal_83                                                                                                                      
 x1 fa + 1 an                                                                                                                          0.60999999999999999        1273.0000000000000       bohlenetal_83                                                                                                                      
 x1 fa + 1 an                                                                                                                          0.66000000000000003        1323.0000000000000       bohlenetal_83                                                                                                                      
 1 ky                                                                                                                                  0.81999999999999995        1073.0000000000000      harlovmilke_02                                                                                                                      
  866  267 1 ky                                                                                                                                     0.820    1073.0 harlovmilke_02                          F
 1 qtz + 1 co                                                                                                                          0.75000000000000000        1073.0000000000000      harlovmilke_02                                                                                                                      
  867  268 1 qtz + 1 co                                                                                                                             0.750    1073.0 harlovmilke_02                          F
 1 qtz + 1 co                                                                                                                          0.69999999999999996        1073.0000000000000      harlovmilke_02                                                                                                                      
  868  269 1 qtz + 1 co                                                                                                                             0.700    1073.0 harlovmilke_02                          F
 1 ky                                                                                                                                  0.80000000000000004        1073.0000000000000      harlovmilke_02                                                                                                                      
  869  270 1 ky                                                                                                                                     0.800    1073.0 harlovmilke_02                          F
 1 qtz + 1 co                                                                                                                          0.75000000000000000        1073.0000000000000      harlovmilke_02                                                                                                                      
  870  271 1 qtz + 1 co                                                                                                                             0.750    1073.0 harlovmilke_02                          F
 1 ky                                                                                                                                  0.80000000000000004        1073.0000000000000      harlovmilke_02                                                                                                                      
  871  272 1 ky                                                                                                                                     0.800    1073.0 harlovmilke_02                          F
 x1 ky                                                                                                                                  5.5000000000000000        1200.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  10.300000000000001        1200.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  5.4000000000000004        1300.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  7.7999999999999998        1300.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  9.3000000000000007        1300.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  10.800000000000001        1300.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  10.900000000000000        1300.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  11.300000000000001        1300.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  12.300000000000001        1300.0000000000000       onoetal_07                                                                                                                         
 x1 st + 1 co                                                                                                                           12.600000000000000        1300.0000000000000       onoetal_07                                                                                                                         
 x1 st + 1 co                                                                                                                           13.199999999999999        1300.0000000000000       onoetal_07                                                                                                                         
 x1 st + 1 co                                                                                                                           14.000000000000000        1300.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  5.4000000000000004        1400.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  6.7999999999999998        1400.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  9.0999999999999996        1400.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  11.400000000000000        1400.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  11.600000000000000        1400.0000000000000       onoetal_07                                                                                                                         
 x1 st + 1 co                                                                                                                           13.699999999999999        1400.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  5.2999999999999998        1500.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  6.0000000000000000        1500.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  8.6999999999999993        1500.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  11.600000000000000        1500.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  12.000000000000000        1500.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  12.300000000000001        1500.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  12.400000000000000        1500.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  12.400000000000000        1500.0000000000000       onoetal_07                                                                                                                         
 x1 st + 1 co                                                                                                                           14.100000000000000        1500.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  8.8000000000000007        1600.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  11.800000000000001        1600.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  12.000000000000000        1600.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  12.000000000000000        1600.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  12.699999999999999        1600.0000000000000       onoetal_07                                                                                                                         
 x1 st + 1 co                                                                                                                           14.100000000000000        1600.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  9.1999999999999993        1700.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  10.900000000000000        1700.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  12.100000000000000        1700.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  12.699999999999999        1700.0000000000000       onoetal_07                                                                                                                         
 x1 st + 1 co                                                                                                                           13.000000000000000        1700.0000000000000       onoetal_07                                                                                                                         
 x1 st + 1 co                                                                                                                           14.300000000000001        1700.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  12.300000000000001        1800.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  13.000000000000000        1800.0000000000000       onoetal_07                                                                                                                         
 x1 st + 1 co                                                                                                                           14.500000000000000        1800.0000000000000       onoetal_07                                                                                                                         
 x1 ky                                                                                                                                  13.300000000000001        1900.0000000000000       onoetal_07                                                                                                                         
 1 gr + 2 ky + 1 qtz                                                                                                                    3.1000000000000001        1673.0000000000000      goldsmith_80                                                                                                                        
  915  273 1 gr + 2 ky + 1 qtz                                                                                                                      3.100    1673.0 goldsmith_80                            F
 3 an                                                                                                                                   3.0000000000000000        1673.0000000000000      goldsmith_80                                                                                                                        
  916  274 3 an                                                                                                                                     3.000    1673.0 goldsmith_80                            F
 1 gr + 2 ky + 1 qtz                                                                                                                    3.0000000000000000        1623.0000000000000      goldsmith_80                                                                                                                        
  917  275 1 gr + 2 ky + 1 qtz                                                                                                                      3.000    1623.0 goldsmith_80                            F
 1 gr + 2 ky + 1 qtz                                                                                                                    2.8999999999999999        1623.0000000000000      goldsmith_80                                                                                                                        
  918  276 1 gr + 2 ky + 1 qtz                                                                                                                      2.900    1623.0 goldsmith_80                            F
 3 an                                                                                                                                   2.7999999999999998        1623.0000000000000      goldsmith_80                                                                                                                        
  919  277 3 an                                                                                                                                     2.800    1623.0 goldsmith_80                            F
 3 an                                                                                                                                   2.7999999999999998        1623.0000000000000      goldsmith_80                                                                                                                        
  920  278 3 an                                                                                                                                     2.800    1623.0 goldsmith_80                            F
 1 gr + 2 ky + 1 qtz                                                                                                                    3.0000000000000000        1623.0000000000000      goldsmith_80                                                                                                                        
  921  279 1 gr + 2 ky + 1 qtz                                                                                                                      3.000    1623.0 goldsmith_80                            F
 3 an                                                                                                                                   2.8999999999999999        1623.0000000000000      goldsmith_80                                                                                                                        
  922  280 3 an                                                                                                                                     2.900    1623.0 goldsmith_80                            F
 1 gr + 2 ky + 1 qtz                                                                                                                    2.8999999999999999        1573.0000000000000      goldsmith_80                                                                                                                        
  923  281 1 gr + 2 ky + 1 qtz                                                                                                                      2.900    1573.0 goldsmith_80                            F
 3 an                                                                                                                                   2.7000000000000002        1573.0000000000000      goldsmith_80                                                                                                                        
  924  282 3 an                                                                                                                                     2.700    1573.0 goldsmith_80                            F
 3 an                                                                                                                                   2.7000000000000002        1573.0000000000000      goldsmith_80                                                                                                                        
  925  283 3 an                                                                                                                                     2.700    1573.0 goldsmith_80                            F
 1 gr + 2 ky + 1 qtz                                                                                                                    2.7999999999999998        1523.0000000000000      goldsmith_80                                                                                                                        
  926  284 1 gr + 2 ky + 1 qtz                                                                                                                      2.800    1523.0 goldsmith_80                            F
 3 an                                                                                                                                   2.6000000000000001        1523.0000000000000      goldsmith_80                                                                                                                        
  927  285 3 an                                                                                                                                     2.600    1523.0 goldsmith_80                            F
 3 an                                                                                                                                   2.5000000000000000        1523.0000000000000      goldsmith_80                                                                                                                        
  928  286 3 an                                                                                                                                     2.500    1523.0 goldsmith_80                            F
 1 gr + 2 ky + 1 qtz                                                                                                                    2.7000000000000002        1473.0000000000000      goldsmith_80                                                                                                                        
  929  287 1 gr + 2 ky + 1 qtz                                                                                                                      2.700    1473.0 goldsmith_80                            F
 3 an                                                                                                                                   2.5000000000000000        1473.0000000000000      goldsmith_80                                                                                                                        
  930  288 3 an                                                                                                                                     2.500    1473.0 goldsmith_80                            F
 1 gr + 2 ky + 1 qtz                                                                                                                    2.6000000000000001        1423.0000000000000      goldsmith_80                                                                                                                        
  931  289 1 gr + 2 ky + 1 qtz                                                                                                                      2.600    1423.0 goldsmith_80                            F
 3 an                                                                                                                                   2.3999999999999999        1423.0000000000000      goldsmith_80                                                                                                                        
  932  290 3 an                                                                                                                                     2.400    1423.0 goldsmith_80                            F
 1 gr + 2 ky + 1 qtz                                                                                                                    2.6000000000000001        1423.0000000000000      goldsmith_80                                                                                                                        
  933  291 1 gr + 2 ky + 1 qtz                                                                                                                      2.600    1423.0 goldsmith_80                            F
 3 an                                                                                                                                   2.3999999999999999        1423.0000000000000      goldsmith_80                                                                                                                        
  934  292 3 an                                                                                                                                     2.400    1423.0 goldsmith_80                            F
 1 gr + 2 ky + 1 qtz                                                                                                                    2.6000000000000001        1373.0000000000000      goldsmith_80                                                                                                                        
  935  293 1 gr + 2 ky + 1 qtz                                                                                                                      2.600    1373.0 goldsmith_80                            F
 1 gr + 2 ky + 1 qtz                                                                                                                    2.3999999999999999        1373.0000000000000      goldsmith_80                                                                                                                        
  936  294 1 gr + 2 ky + 1 qtz                                                                                                                      2.400    1373.0 goldsmith_80                            F
 1 gr + 2 ky + 1 qtz                                                                                                                    2.3999999999999999        1373.0000000000000      goldsmith_80                                                                                                                        
  937  295 1 gr + 2 ky + 1 qtz                                                                                                                      2.400    1373.0 goldsmith_80                            F
 3 an                                                                                                                                   2.2000000000000002        1373.0000000000000      goldsmith_80                                                                                                                        
  938  296 3 an                                                                                                                                     2.200    1373.0 goldsmith_80                            F
 3 an                                                                                                                                   2.2000000000000002        1373.0000000000000      goldsmith_80                                                                                                                        
  939  297 3 an                                                                                                                                     2.200    1373.0 goldsmith_80                            F
 x1 an                                                                                                                                  3.0000000000000000        1673.0000000000000       hariyakennedy_68                                                                                                                   
 x1 cats + 1 qtz                                                                                                                        3.1499999999999999        1673.0000000000000       hariyakennedy_68                                                                                                                   
 x3 di + 3 cats                                                                                                                         3.2400000000000002        1573.0000000000000        gasparik_84a (P=0.93*P_nominal(34.8 kb                                                                                            
 x2 py + 4 gr                                                                                                                           3.2999999999999998        1573.0000000000000        gasparik_84a (P=0.93*P_nominal(35.5 kb                                                                                            
 x1 wu                                                                                                                                  69.000000000000000        500.00000000000000       feimao_94                                                                                                                          
 x1 wu                                                                                                                                  72.000000000000000        700.00000000000000       feimao_94                                                                                                                          
 x1 wu                                                                                                                                  72.000000000000000        812.00000000000000       feimao_94                                                                                                                          
 x1 wu                                                                                                                                  84.000000000000000        300.00000000000000       feimao_94                                                                                                                          
 x1 wu                                                                                                                                  88.000000000000000        400.00000000000000       feimao_94                                                                                                                          
 x1 wu                                                                                                                                  88.000000000000000        550.00000000000000       feimao_94                                                                                                                          
 x1 wub8                                                                                                                                74.000000000000000        900.00000000000000       feimao_94                                                                                                                          
 x1 wub8                                                                                                                                78.000000000000000        1000.0000000000000       feimao_94                                                                                                                          
 x1 wub8                                                                                                                                80.000000000000000        1100.0000000000000       feimao_94                                                                                                                          
 x1 wub8                                                                                                                                90.000000000000000        600.00000000000000       feimao_94                                                                                                                          
 x1 wub8                                                                                                                                94.000000000000000        700.00000000000000       feimao_94                                                                                                                          
 x1 wub8                                                                                                                                96.000000000000000        800.00000000000000       feimao_94                                                                                                                          
 x1 wu                                                                                                                                  183.00000000000000        2920.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  192.30000000000001        3400.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  193.50000000000000        3400.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  199.19999999999999        3390.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  199.90000000000001        3420.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  203.80000000000001        3290.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  205.40000000000001        3700.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  207.09999999999999        3560.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  207.30000000000001        3800.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  208.00000000000000        3490.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  208.09999999999999        3600.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  208.40000000000001        3730.0000000000000       ozawaetal_10                                                                                                                       
 x1 wub8                                                                                                                                177.19999999999999        300.00000000000000       ozawaetal_10                                                                                                                       
 x1 wub8                                                                                                                                185.09999999999999        2520.0000000000000       ozawaetal_10                                                                                                                       
 x1 wub8                                                                                                                                187.19999999999999        300.00000000000000       ozawaetal_10                                                                                                                       
 x1 wub8                                                                                                                                187.59999999999999        2510.0000000000000       ozawaetal_10                                                                                                                       
 x1 wub8                                                                                                                                187.59999999999999        2840.0000000000000       ozawaetal_10                                                                                                                       
 x1 wub8                                                                                                                                190.40000000000001        3000.0000000000000       ozawaetal_10                                                                                                                       
 x1 wub8                                                                                                                                191.90000000000001        2930.0000000000000       ozawaetal_10                                                                                                                       
 x1 wub8                                                                                                                                199.50000000000000        2840.0000000000000       ozawaetal_10                                                                                                                       
 x1 wu                                                                                                                                  70.000000000000000        1400.0000000000000        murakamietal_04b                                                                                                                  
 x1 fib8                                                                                                                                70.000000000000000        2800.0000000000000        murakamietal_04b                                                                                                                  
 x1 pe                                                                                                                                  170.00000000000000        2900.0000000000000        zhangetal_08                                                                                                                      
 x1 mib8                                                                                                                                170.00000000000000        2900.0000000000000        zhangetal_08                                                                                                                      
 x6 pe + 4 wu                                                                                                                           145.00000000000000        3273.0000000000000        zhangetal_08                                                                                                                      
 x6 mib8 + 4 fib8                                                                                                                       145.00000000000000        3273.0000000000000        zhangetal_08                                                                                                                      
 1 jd                                                                                                                                   2.3799999999999999        1473.0000000000000       gasparik_85a                                                                                                                       
  982  298 1 jd                                                                                                                                     2.380    1473.0 gasparik_85a                            F
 1 neph + 1 ab                                                                                                                          2.3300000000000001        1473.0000000000000       gasparik_85a                                                                                                                       
  983  299 1 neph + 1 ab                                                                                                                            2.330    1473.0 gasparik_85a                            F
 1 jd + 1 anao                                                                                                                          18.000000000000000        1273.0000000000000      akaogietal_02                                                                                                                       
  984  300 1 jd + 1 anao                                                                                                                           18.000    1273.0 akaogietal_02                           F
 1 jd + 1 anao                                                                                                                          19.000000000000000        1273.0000000000000      akaogietal_02                                                                                                                       
  985  301 1 jd + 1 anao                                                                                                                           19.000    1273.0 akaogietal_02                           F
 1 jd + 1 anao                                                                                                                          16.000000000000000        1473.0000000000000      akaogietal_02                                                                                                                       
  986  302 1 jd + 1 anao                                                                                                                           16.000    1473.0 akaogietal_02                           F
 1 jd + 1 anao                                                                                                                          18.000000000000000        1473.0000000000000      akaogietal_02                                                                                                                       
  987  303 1 jd + 1 anao                                                                                                                           18.000    1473.0 akaogietal_02                           F
 1 jd + 1 anao                                                                                                                          18.000000000000000        1673.0000000000000      akaogietal_02                                                                                                                       
  988  304 1 jd + 1 anao                                                                                                                           18.000    1673.0 akaogietal_02                           F
 1 jd + 1 anao                                                                                                                          17.000000000000000        1873.0000000000000      akaogietal_02                                                                                                                       
  989  305 1 jd + 1 anao                                                                                                                           17.000    1873.0 akaogietal_02                           F
 1 nacf                                                                                                                                 22.000000000000000        1273.0000000000000      akaogietal_02                                                                                                                       
  990  306 1 nacf                                                                                                                                  22.000    1273.0 akaogietal_02                           F
 1 nacf                                                                                                                                 21.000000000000000        1473.0000000000000      akaogietal_02                                                                                                                       
  991  307 1 nacf                                                                                                                                  21.000    1473.0 akaogietal_02                           F
 1 nacf                                                                                                                                 22.000000000000000        1473.0000000000000      akaogietal_02                                                                                                                       
  992  308 1 nacf                                                                                                                                  22.000    1473.0 akaogietal_02                           F
 1 nacf                                                                                                                                 23.000000000000000        1473.0000000000000      akaogietal_02                                                                                                                       
  993  309 1 nacf                                                                                                                                  23.000    1473.0 akaogietal_02                           F
 1 nacf                                                                                                                                 18.000000000000000        1873.0000000000000      akaogietal_02                                                                                                                       
  994  310 1 nacf                                                                                                                                  18.000    1873.0 akaogietal_02                           F
 1 nacf                                                                                                                                 27.000000000000000        1873.0000000000000      akaogietal_02                                                                                                                       
  995  311 1 nacf                                                                                                                                  27.000    1873.0 akaogietal_02                           F
 1 sp + 2 jd + 2 anao                                                                                                                   13.000000000000000        1273.0000000000000      onoetal_09                                                                                                                          
  996  312 1 sp + 2 jd + 2 anao                                                                                                                    13.000    1273.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        14.500000000000000        1273.0000000000000      onoetal_09                                                                                                                          
  997  313 3 mnal + 1 nnal                                                                                                                         14.500    1273.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        15.500000000000000        1273.0000000000000      onoetal_09                                                                                                                          
  998  314 3 mnal + 1 nnal                                                                                                                         15.500    1273.0 onoetal_09                              F
 1 sp + 2 jd + 2 anao                                                                                                                   13.000000000000000        1473.0000000000000      onoetal_09                                                                                                                          
  999  315 1 sp + 2 jd + 2 anao                                                                                                                    13.000    1473.0 onoetal_09                              F
 1 sp + 2 jd + 2 anao                                                                                                                   13.500000000000000        1473.0000000000000      onoetal_09                                                                                                                          
 1000  316 1 sp + 2 jd + 2 anao                                                                                                                    13.500    1473.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        14.500000000000000        1473.0000000000000      onoetal_09                                                                                                                          
 1001  317 3 mnal + 1 nnal                                                                                                                         14.500    1473.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        19.000000000000000        1473.0000000000000      onoetal_09                                                                                                                          
 1002  318 3 mnal + 1 nnal                                                                                                                         19.000    1473.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        19.000000000000000        1673.0000000000000      onoetal_09                                                                                                                          
 1003  319 3 mnal + 1 nnal                                                                                                                         19.000    1673.0 onoetal_09                              F
 1 sp + 2 jd + 2 anao                                                                                                                   12.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1004  320 1 sp + 2 jd + 2 anao                                                                                                                    12.000    1873.0 onoetal_09                              F
 1 sp + 2 jd + 2 anao                                                                                                                   13.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1005  321 1 sp + 2 jd + 2 anao                                                                                                                    13.000    1873.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        14.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1006  322 3 mnal + 1 nnal                                                                                                                         14.000    1873.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        17.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1007  323 3 mnal + 1 nnal                                                                                                                         17.000    1873.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        18.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1008  324 3 mnal + 1 nnal                                                                                                                         18.000    1873.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        19.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1009  325 3 mnal + 1 nnal                                                                                                                         19.000    1873.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        20.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1010  326 3 mnal + 1 nnal                                                                                                                         20.000    1873.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        23.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1011  327 3 mnal + 1 nnal                                                                                                                         23.000    1873.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        27.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1012  328 3 mnal + 1 nnal                                                                                                                         27.000    1873.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        30.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1013  329 3 mnal + 1 nnal                                                                                                                         30.000    1873.0 onoetal_09                              F
 3 mgcf + 7 nacf                                                                                                                        24.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1014  330 3 mgcf + 7 nacf                                                                                                                         24.000    1873.0 onoetal_09                              F
 9 mnal + 1 nnal                                                                                                                        16.500000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1015  331 9 mnal + 1 nnal                                                                                                                         16.500    1873.0 onoetal_09                              F
 9 mnal + 1 nnal                                                                                                                        19.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1016  332 9 mnal + 1 nnal                                                                                                                         19.000    1873.0 onoetal_09                              F
 9 mnal + 1 nnal                                                                                                                        23.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1017  333 9 mnal + 1 nnal                                                                                                                         23.000    1873.0 onoetal_09                              F
 3 mnal + 1 nnal                                                                                                                        47.000000000000000        1800.0000000000000      imadaetal_11 (33)                                                                                                                   
 1018  334 3 mnal + 1 nnal                                                                                                                         47.000    1800.0 imadaetal_11                            F
 1 en                                                                                                                                   0.0000000000000000        1830.0000000000000      boydetal_64                                                                                                                         
 1019  335 1 en                                                                                                                                     0.000    1830.0 boydetal_64                             F
 1 enm                                                                                                                                  0.0000000000000000        1830.0000000000000      boydetal_64                                                                                                                         
 1020  336 1 enm                                                                                                                                    0.000    1830.0 boydetal_64                             F
 WARNING: Reaction contains a species not included in the control file
 x1 en                                                                                                                                  5.0000000000000000        2240.0000000000000       boydetal_64                                                                                                                        
 x1 enm                                                                                                                                 5.0000000000000000        2240.0000000000000       boydetal_64                                                                                                                        
 1 mgpv                                                                                                                                 25.000000000000000        2900.0000000000000      stixrudekarki_05                                                                                                                    
 1023  336 1 mgpv                                                                                                                                  25.000    2900.0 stixrudekarki_05                        F
 1 enm                                                                                                                                  25.000000000000000        2900.0000000000000      stixrudekarki_05                                                                                                                    
 1024  337 1 enm                                                                                                                                   25.000    2900.0 stixrudekarki_05                        F
 WARNING: Reaction contains a species not included in the control file
 1 co                                                                                                                                   102.20000000000000        1870.0000000000000      katoetal_13                                                                                                                         
 1025  337 1 co                                                                                                                                   102.200    1870.0 katoetal_13                             F
 1 co                                                                                                                                   101.09999999999999        1930.0000000000000      katoetal_13                                                                                                                         
 1026  338 1 co                                                                                                                                   101.100    1930.0 katoetal_13                             F
 1 co                                                                                                                                   106.40000000000001        1600.0000000000000      katoetal_13                                                                                                                         
 1027  339 1 co                                                                                                                                   106.400    1600.0 katoetal_13                             F
 1 co                                                                                                                                   96.900000000000006        3000.0000000000000      katoetal_13                                                                                                                         
 1028  340 1 co                                                                                                                                    96.900    3000.0 katoetal_13                             F
 1 co                                                                                                                                   97.900000000000006        2480.0000000000000      katoetal_13                                                                                                                         
 1029  341 1 co                                                                                                                                    97.900    2480.0 katoetal_13                             F
 1 alpv                                                                                                                                 105.20000000000000        2180.0000000000000      katoetal_13                                                                                                                         
 1030  342 1 alpv                                                                                                                                 105.200    2180.0 katoetal_13                             F
 1 alpv                                                                                                                                 107.20000000000000        2560.0000000000000      katoetal_13                                                                                                                         
 1031  343 1 alpv                                                                                                                                 107.200    2560.0 katoetal_13                             F
 1 alpv                                                                                                                                 107.20000000000000        1820.0000000000000      katoetal_13                                                                                                                         
 1032  344 1 alpv                                                                                                                                 107.200    1820.0 katoetal_13                             F
 1 alpv                                                                                                                                 107.59999999999999        1670.0000000000000      katoetal_13                                                                                                                         
 1033  345 1 alpv                                                                                                                                 107.600    1670.0 katoetal_13                             F
 1 alpv                                                                                                                                 99.900000000000006        2900.0000000000000      katoetal_13                                                                                                                         
 1034  346 1 alpv                                                                                                                                  99.900    2900.0 katoetal_13                             F
 1 alpv                                                                                                                                 103.09999999999999        2840.0000000000000      katoetal_13                                                                                                                         
 1035  347 1 alpv                                                                                                                                 103.100    2840.0 katoetal_13                             F
 1 alpv                                                                                                                                 157.09999999999999        2570.0000000000000      katoetal_13                                                                                                                         
 1036  348 1 alpv                                                                                                                                 157.100    2570.0 katoetal_13                             F
 1 alpv                                                                                                                                 169.69999999999999        2290.0000000000000      katoetal_13                                                                                                                         
 1037  349 1 alpv                                                                                                                                 169.700    2290.0 katoetal_13                             F
 1 alpv                                                                                                                                 145.30000000000001        3110.0000000000000      katoetal_13                                                                                                                         
 1038  350 1 alpv                                                                                                                                 145.300    3110.0 katoetal_13                             F
 1 alpv                                                                                                                                 142.50000000000000        3540.0000000000000      katoetal_13                                                                                                                         
 1039  351 1 alpv                                                                                                                                 142.500    3540.0 katoetal_13                             F
 1 alpv                                                                                                                                 156.30000000000001        2980.0000000000000      katoetal_13                                                                                                                         
 1040  352 1 alpv                                                                                                                                 156.300    2980.0 katoetal_13                             F
 1 appv                                                                                                                                 186.00000000000000        2590.0000000000000      katoetal_13                                                                                                                         
 1041  353 1 appv                                                                                                                                 186.000    2590.0 katoetal_13                             F
 1 appv                                                                                                                                 158.40000000000001        3170.0000000000000      katoetal_13                                                                                                                         
 1042  354 1 appv                                                                                                                                 158.400    3170.0 katoetal_13                             F
 1 appv                                                                                                                                 164.00000000000000        2990.0000000000000      katoetal_13                                                                                                                         
 1043  355 1 appv                                                                                                                                 164.000    2990.0 katoetal_13                             F
 1 appv                                                                                                                                 148.90000000000001        3510.0000000000000      katoetal_13                                                                                                                         
 1044  356 1 appv                                                                                                                                 148.900    3510.0 katoetal_13                             F
 1 appv                                                                                                                                 161.90000000000001        2950.0000000000000      katoetal_13                                                                                                                         
 1045  357 1 appv                                                                                                                                 161.900    2950.0 katoetal_13                             F
 x1 co + 1 wu                                                                                                                           7.0000000000000000        1223.0000000000000       schollenbruchetal_10 (35)                                                                                                          
 x1 co + 1 wu                                                                                                                           7.1100000000000003        1423.0000000000000       schollenbruchetal_10 (35)                                                                                                          
 x1 co + 1 wu                                                                                                                           7.2800000000000002        1723.0000000000000       schollenbruchetal_10 (35)                                                                                                          
 x1 hc                                                                                                                                  7.0000000000000000        1273.0000000000000       schollenbruchetal_10 (35)                                                                                                          
 x1 hc                                                                                                                                  7.1100000000000003        1573.0000000000000       schollenbruchetal_10 (35)                                                                                                          
 x1 hc                                                                                                                                  7.2800000000000002        1723.0000000000000       schollenbruchetal_10 (35)                                                                                                          
 x1 sp + 1 cacf                                                                                                                         11.500000000000000        1273.0000000000000       onoetal_09                                                                                                                         
 x1 sp + 1 cacf                                                                                                                         12.500000000000000        1273.0000000000000       onoetal_09                                                                                                                         
 x1 sp + 1 cacf                                                                                                                         11.500000000000000        1473.0000000000000       onoetal_09                                                                                                                         
 x1 sp + 1 cacf                                                                                                                         13.000000000000000        1473.0000000000000       onoetal_09                                                                                                                         
 x1 sp + 1 cacf                                                                                                                         12.000000000000000        1673.0000000000000       onoetal_09                                                                                                                         
 x1 cnal                                                                                                                                15.000000000000000        1273.0000000000000       onoetal_09                                                                                                                         
 x1 cnal                                                                                                                                14.000000000000000        1473.0000000000000       onoetal_09                                                                                                                         
 x1 cnal                                                                                                                                19.000000000000000        1473.0000000000000       onoetal_09                                                                                                                         
 x1 cnal                                                                                                                                13.500000000000000        1673.0000000000000       onoetal_09                                                                                                                         
 x1 cnal                                                                                                                                14.500000000000000        1673.0000000000000       onoetal_09                                                                                                                         
 x1 cnal                                                                                                                                15.500000000000000        1673.0000000000000       onoetal_09                                                                                                                         
 x1 cnal                                                                                                                                16.000000000000000        1673.0000000000000       onoetal_09                                                                                                                         
 x1 cnal                                                                                                                                19.000000000000000        1673.0000000000000       onoetal_09                                                                                                                         
 x1 cnal                                                                                                                                19.000000000000000        1873.0000000000000       onoetal_09                                                                                                                         
 x1 cnal                                                                                                                                30.000000000000000        1873.0000000000000       onoetal_09                                                                                                                         
 1 hem                                                                                                                                  22.600000000000001        1014.0000000000000      itoetal_09                                                                                                                          
 1067  358 1 hem                                                                                                                                   22.600    1014.0 itoetal_09                              F
 1 hem                                                                                                                                  24.600000000000001        1115.0000000000000      itoetal_09                                                                                                                          
 1068  359 1 hem                                                                                                                                   24.600    1115.0 itoetal_09                              F
 1 hem                                                                                                                                  27.100000000000001        1115.0000000000000      itoetal_09                                                                                                                          
 1069  360 1 hem                                                                                                                                   27.100    1115.0 itoetal_09                              F
 1 hem                                                                                                                                  32.399999999999999        578.00000000000000      itoetal_09                                                                                                                          
 1070  361 1 hem                                                                                                                                   32.400     578.0 itoetal_09                              F
 1 hepv                                                                                                                                 26.399999999999999        1238.0000000000000      itoetal_09                                                                                                                          
 1071  362 1 hepv                                                                                                                                  26.400    1238.0 itoetal_09                              F
 1 hepv                                                                                                                                 34.799999999999997        778.00000000000000      itoetal_09                                                                                                                          
 1072  363 1 hepv                                                                                                                                  34.800     778.0 itoetal_09                              F
 1 hepv                                                                                                                                 36.799999999999997        697.00000000000000      itoetal_09                                                                                                                          
 1073  364 1 hepv                                                                                                                                  36.800     697.0 itoetal_09                              F
 1 hepv                                                                                                                                 26.800000000000001        1160.0000000000000      itoetal_09                                                                                                                          
 1074  365 1 hepv                                                                                                                                  26.800    1160.0 itoetal_09                              F
 1 hepv                                                                                                                                 32.299999999999997        869.00000000000000      itoetal_09                                                                                                                          
 1075  366 1 hepv                                                                                                                                  32.300     869.0 itoetal_09                              F
 1 hepv                                                                                                                                 36.200000000000003        545.00000000000000      itoetal_09                                                                                                                          
 1076  367 1 hepv                                                                                                                                  36.200     545.0 itoetal_09                              F
 1 hepv                                                                                                                                 43.899999999999999        897.00000000000000      itoetal_09                                                                                                                          
 1077  368 1 hepv                                                                                                                                  43.900     897.0 itoetal_09                              F
 1 hepv                                                                                                                                 40.000000000000000        1358.0000000000000      itoetal_09                                                                                                                          
 1078  369 1 hepv                                                                                                                                  40.000    1358.0 itoetal_09                              F
 1 hepv                                                                                                                                 41.100000000000001        300.00000000000000      bykovaetal_16                                                                                                                       
 1079  370 1 hepv                                                                                                                                  41.100     300.0 bykovaetal_16                           F
 1 hepv                                                                                                                                 45.100000000000001        1658.0000000000000      bykovaetal_16                                                                                                                       
 1080  371 1 hepv                                                                                                                                  45.100    1658.0 bykovaetal_16                           F
 1 hepv                                                                                                                                 45.100000000000001        1820.0000000000000      bykovaetal_16                                                                                                                       
 1081  372 1 hepv                                                                                                                                  45.100    1820.0 bykovaetal_16                           F
 1 hepv                                                                                                                                 45.700000000000003        1897.0000000000000      bykovaetal_16                                                                                                                       
 1082  373 1 hepv                                                                                                                                  45.700    1897.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 48.899999999999999        300.00000000000000      bykovaetal_16 (39)                                                                                                                  
 1083  374 1 hppv                                                                                                                                  48.900     300.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 50.200000000000003        300.00000000000000      bykovaetal_16 (39)                                                                                                                  
 1084  375 1 hppv                                                                                                                                  50.200     300.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 53.500000000000000        1693.0000000000000      bykovaetal_16 (39)                                                                                                                  
 1085  376 1 hppv                                                                                                                                  53.500    1693.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 52.799999999999997        1851.0000000000000      bykovaetal_16 (39)                                                                                                                  
 1086  377 1 hppv                                                                                                                                  52.800    1851.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 55.700000000000003        1850.0000000000000      bykovaetal_16 (39)                                                                                                                  
 1087  378 1 hppv                                                                                                                                  55.700    1850.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 53.100000000000001        1993.0000000000000      bykovaetal_16 (39)                                                                                                                  
 1088  379 1 hppv                                                                                                                                  53.100    1993.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 54.799999999999997        2043.0000000000000      bykovaetal_16 (39)                                                                                                                  
 1089  380 1 hppv                                                                                                                                  54.800    2043.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 54.500000000000000        2145.0000000000000      bykovaetal_16 (39)                                                                                                                  
 1090  381 1 hppv                                                                                                                                  54.500    2145.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 57.600000000000001        2429.0000000000000      bykovaetal_16 (39)                                                                                                                  
 1091  382 1 hppv                                                                                                                                  57.600    2429.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 59.100000000000001        2602.0000000000000      bykovaetal_16 (39)                                                                                                                  
 1092  383 1 hppv                                                                                                                                  59.100    2602.0 bykovaetal_16                           F
 x1 hppv                                                                                                                                81.299999999999997        1596.0000000000000       bykovaetal_16 (40)                                                                                                                 
 x1 hppv                                                                                                                                108.40000000000001        1295.0000000000000       bykovaetal_16 (40)                                                                                                                 
 x1 hppv                                                                                                                                109.50000000000000        1493.0000000000000       bykovaetal_16 (40)                                                                                                                 
 x1 hppv                                                                                                                                112.20000000000000        1589.0000000000000       bykovaetal_16 (40)                                                                                                                 
 x1 hppv                                                                                                                                112.90000000000001        1843.0000000000000       bykovaetal_16 (40)                                                                                                                 
 1 hppv                                                                                                                                 51.200000000000003        300.00000000000000      bykovaetal_16                                                                                                                       
 1098  384 1 hppv                                                                                                                                  51.200     300.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 55.600000000000001        300.00000000000000      bykovaetal_16                                                                                                                       
 1099  385 1 hppv                                                                                                                                  55.600     300.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 56.500000000000000        300.00000000000000      bykovaetal_16                                                                                                                       
 1100  386 1 hppv                                                                                                                                  56.500     300.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 59.299999999999997        300.00000000000000      bykovaetal_16                                                                                                                       
 1101  387 1 hppv                                                                                                                                  59.300     300.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 63.799999999999997        300.00000000000000      bykovaetal_16                                                                                                                       
 1102  388 1 hppv                                                                                                                                  63.800     300.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 64.700000000000003        300.00000000000000      bykovaetal_16                                                                                                                       
 1103  389 1 hppv                                                                                                                                  64.700     300.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 66.799999999999997        300.00000000000000      bykovaetal_16                                                                                                                       
 1104  390 1 hppv                                                                                                                                  66.800     300.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 68.700000000000003        300.00000000000000      bykovaetal_16                                                                                                                       
 1105  391 1 hppv                                                                                                                                  68.700     300.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 71.299999999999997        300.00000000000000      bykovaetal_16                                                                                                                       
 1106  392 1 hppv                                                                                                                                  71.300     300.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 75.099999999999994        300.00000000000000      bykovaetal_16                                                                                                                       
 1107  393 1 hppv                                                                                                                                  75.100     300.0 bykovaetal_16                           F
 x1 hppv                                                                                                                                94.200000000000003        300.00000000000000       bykovaetal_16                                                                                                                      
 x1 hppv                                                                                                                                104.80000000000000        300.00000000000000       bykovaetal_16                                                                                                                      
 1 hppv                                                                                                                                 56.299999999999997        1495.0000000000000      bykovaetal_16                                                                                                                       
 1110  394 1 hppv                                                                                                                                  56.300    1495.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 68.700000000000003        1616.0000000000000      bykovaetal_16                                                                                                                       
 1111  395 1 hppv                                                                                                                                  68.700    1616.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 68.000000000000000        1703.0000000000000      bykovaetal_16                                                                                                                       
 1112  396 1 hppv                                                                                                                                  68.000    1703.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 68.299999999999997        1753.0000000000000      bykovaetal_16                                                                                                                       
 1113  397 1 hppv                                                                                                                                  68.300    1753.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 68.900000000000006        1718.0000000000000      bykovaetal_16                                                                                                                       
 1114  398 1 hppv                                                                                                                                  68.900    1718.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 59.600000000000001        1825.0000000000000      bykovaetal_16                                                                                                                       
 1115  399 1 hppv                                                                                                                                  59.600    1825.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 58.899999999999999        1972.0000000000000      bykovaetal_16                                                                                                                       
 1116  400 1 hppv                                                                                                                                  58.900    1972.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 59.399999999999999        2033.0000000000000      bykovaetal_16                                                                                                                       
 1117  401 1 hppv                                                                                                                                  59.400    2033.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 68.799999999999997        1962.0000000000000      bykovaetal_16                                                                                                                       
 1118  402 1 hppv                                                                                                                                  68.800    1962.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 61.600000000000001        2160.0000000000000      bykovaetal_16                                                                                                                       
 1119  403 1 hppv                                                                                                                                  61.600    2160.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 61.299999999999997        2200.0000000000000      bykovaetal_16                                                                                                                       
 1120  404 1 hppv                                                                                                                                  61.300    2200.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 69.400000000000006        2220.0000000000000      bykovaetal_16                                                                                                                       
 1121  405 1 hppv                                                                                                                                  69.400    2220.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 62.000000000000000        2307.0000000000000      bykovaetal_16                                                                                                                       
 1122  406 1 hppv                                                                                                                                  62.000    2307.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 62.000000000000000        2353.0000000000000      bykovaetal_16                                                                                                                       
 1123  407 1 hppv                                                                                                                                  62.000    2353.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 72.000000000000000        2657.0000000000000      bykovaetal_16                                                                                                                       
 1124  408 1 hppv                                                                                                                                  72.000    2657.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 71.400000000000006        2697.0000000000000      bykovaetal_16                                                                                                                       
 1125  409 1 hppv                                                                                                                                  71.400    2697.0 bykovaetal_16                           F
 1 hppv                                                                                                                                 64.200000000000003        2830.0000000000000      bykovaetal_16                                                                                                                       
 1126  410 1 hppv                                                                                                                                  64.200    2830.0 bykovaetal_16                           F
 1 fea                                                                                                                                  0.0000000000000000        1185.0000000000000      robiehemingway_95                                                                                                                   
 1127  411 1 fea                                                                                                                                    0.000    1185.0 robiehemingway_95                       F
 1 feg                                                                                                                                  0.0000000000000000        1185.0000000000000      robiehemingway_95                                                                                                                   
 1128  412 1 feg                                                                                                                                    0.000    1185.0 robiehemingway_95                       F
 1 fea                                                                                                                                  0.0000000000000000        1667.0000000000000      robiehemingway_95                                                                                                                   
 1129  413 1 fea                                                                                                                                    0.000    1667.0 robiehemingway_95                       F
 1 feg                                                                                                                                  0.0000000000000000        1667.0000000000000      robiehemingway_95                                                                                                                   
 1130  414 1 feg                                                                                                                                    0.000    1667.0 robiehemingway_95                       F
 1 feg                                                                                                                                  0.0000000000000000        1426.0000000000000      robiehemingway_95                                                                                                                   
 1131  415 1 feg                                                                                                                                    0.000    1426.0 robiehemingway_95                       F
 1 fea                                                                                                                                  5.2000000000000002        1991.0000000000000      strongetal_73                                                                                                                       
 1132  416 1 fea                                                                                                                                    5.200    1991.0 strongetal_73                           F
 1 feg                                                                                                                                  5.2000000000000002        1991.0000000000000      strongetal_73                                                                                                                       
 1133  417 1 feg                                                                                                                                    5.200    1991.0 strongetal_73                           F
 x1 fea                                                                                                                                 8.3000000000000007        713.00000000000000       akimotoetal_87                                                                                                                     
 x1 feg                                                                                                                                 8.3000000000000007        713.00000000000000       akimotoetal_87                                                                                                                     
 x1 fee                                                                                                                                 8.3000000000000007        713.00000000000000       akimotoetal_87                                                                                                                     
 1 feg                                                                                                                                  22.100000000000001        1168.0000000000000      komabayashietal_09                                                                                                                  
 1137  418 1 feg                                                                                                                                   22.100    1168.0 komabayashietal_09                      F
 1 feg                                                                                                                                  29.399999999999999        1309.0000000000000      komabayashietal_09                                                                                                                  
 1138  419 1 feg                                                                                                                                   29.400    1309.0 komabayashietal_09                      F
 1 feg                                                                                                                                  32.700000000000003        1449.0000000000000      komabayashietal_09                                                                                                                  
 1139  420 1 feg                                                                                                                                   32.700    1449.0 komabayashietal_09                      F
 1 feg                                                                                                                                  44.100000000000001        1651.0000000000000      komabayashietal_09                                                                                                                  
 1140  421 1 feg                                                                                                                                   44.100    1651.0 komabayashietal_09                      F
 1 feg                                                                                                                                  54.399999999999999        1997.0000000000000      komabayashietal_09                                                                                                                  
 1141  422 1 feg                                                                                                                                   54.400    1997.0 komabayashietal_09                      F
 1 feg                                                                                                                                  65.700000000000003        2318.0000000000000      komabayashietal_09                                                                                                                  
 1142  423 1 feg                                                                                                                                   65.700    2318.0 komabayashietal_09                      F
 1 feg                                                                                                                                  67.400000000000006        2350.0000000000000      komabayashietal_09                                                                                                                  
 1143  424 1 feg                                                                                                                                   67.400    2350.0 komabayashietal_09                      F
 1 feg                                                                                                                                  22.100000000000001        1168.0000000000000      komabayashietal_09                                                                                                                  
 1144  425 1 feg                                                                                                                                   22.100    1168.0 komabayashietal_09                      F
 1 fee                                                                                                                                  22.899999999999999        1093.0000000000000      komabayashietal_09                                                                                                                  
 1145  426 1 fee                                                                                                                                   22.900    1093.0 komabayashietal_09                      F
 1 fee                                                                                                                                  32.200000000000003        1354.0000000000000      komabayashietal_09                                                                                                                  
 1146  427 1 fee                                                                                                                                   32.200    1354.0 komabayashietal_09                      F
 1 fee                                                                                                                                  43.700000000000003        1629.0000000000000      komabayashietal_09                                                                                                                  
 1147  428 1 fee                                                                                                                                   43.700    1629.0 komabayashietal_09                      F
 1 fee                                                                                                                                  54.399999999999999        1950.0000000000000      komabayashietal_09                                                                                                                  
 1148  429 1 fee                                                                                                                                   54.400    1950.0 komabayashietal_09                      F
 1 fee                                                                                                                                  67.299999999999997        2325.0000000000000      komabayashietal_09                                                                                                                  
 1149  430 1 fee                                                                                                                                   67.300    2325.0 komabayashietal_09                      F
 1 fee                                                                                                                                  62.200000000000003        2179.0000000000000      komabayashietal_09                                                                                                                  
 1150  431 1 fee                                                                                                                                   62.200    2179.0 komabayashietal_09                      F
 1 fee                                                                                                                                  22.100000000000001        1168.0000000000000      komabayashietal_09                                                                                                                  
 1151  432 1 fee                                                                                                                                   22.100    1168.0 komabayashietal_09                      F
 xx562 mag + 438 fea                                                                                                                    0.0000000000000000        833.00000000000000        darkengurry_45                                                                                                                    
 xx780 wu + 220 mag                                                                                                                     0.0000000000000000        833.00000000000000        darkengurry_45                                                                                                                    
 x558 mag + 442 fea                                                                                                                     0.0000000000000000        833.00000000000000       darkengurry_45                                                                                                                     
 x791 wu + 209 mag                                                                                                                      0.0000000000000000        833.00000000000000       darkengurry_45                                                                                                                     
 x100 fepv + 12 hepv                                                                                                                    45.000000000000000        1900.0000000000000       ismailovaetal_16                                                                                                                   
 x100 fepv + 12 hlpv                                                                                                                    105.00000000000000        1900.0000000000000       ismailovaetal_16                                                                                                                   
 x64 fepv + 12 hlpv                                                                                                                     45.000000000000000        1900.0000000000000       ismailovaetal_16                                                                                                                   
 x64 fepv + 12 hlpv                                                                                                                     105.00000000000000        1900.0000000000000       ismailovaetal_16                                                                                                                   
 3 mgpv + 1 alpv                                                                                                                        137.00000000000000        2000.0000000000000      tatenoetal_05                                                                                                                       
 1160  433 3 mgpv + 1 alpv                                                                                                                        137.000    2000.0 tatenoetal_05                           F
 3 mppv + 1 appv                                                                                                                        175.00000000000000        2000.0000000000000      tatenoetal_05                                                                                                                       
 1161  434 3 mppv + 1 appv                                                                                                                        175.000    2000.0 tatenoetal_05                           F
 x3 fepv + 1 alpv                                                                                                                       80.000000000000000        2000.0000000000000       dorfmanetal_12a                                                                                                                    
 x3 fepv + 1 alpv                                                                                                                       90.000000000000000        2000.0000000000000       dorfmanetal_12a                                                                                                                    
 x3 fepv + 1 alpv                                                                                                                       148.00000000000000        2000.0000000000000       dorfmanetal_12a                                                                                                                    
 x3 fepv + 1 alpv                                                                                                                       176.00000000000000        2000.0000000000000       dorfmanetal_12a                                                                                                                    
 x3 fppv + 1 appv                                                                                                                       176.00000000000000        2000.0000000000000       dorfmanetal_12a                                                                                                                    
 x222 fppv + 78 mppv + 100 appv                                                                                                         161.00000000000000        2000.0000000000000       dorfmanetal_12a                                                                                                                    
 x3 wu + 4 co + 12 st                                                                                                                   22.000000000000000        1773.0000000000000       conrad_98                                                                                                                          
 x3 wu + 4 co + 12 st                                                                                                                   28.000000000000000        2000.0000000000000       conrad_98                                                                                                                          
 x3 wu + 4 co + 12 st                                                                                                                   45.000000000000000        2000.0000000000000       conrad_98                                                                                                                          
 x3 wu + 4 co + 12 st                                                                                                                   28.000000000000000        2000.0000000000000       dorfmanetal_12a                                                                                                                    
 3 wu + 4 co + 12 st                                                                                                                    35.000000000000000        2000.0000000000000      dorfmanetal_12a                                                                                                                     
 1172  435 3 wu + 4 co + 12 st                                                                                                                     35.000    2000.0 dorfmanetal_12a                         F
 x1 co + 1 hem                                                                                                                          0.0000000000000000        1895.0000000000000       feenstraetal_05                                                                                                                    
 x1 fapv                                                                                                                                0.0000000000000000        1895.0000000000000       sahaetal_11                                                                                                                        
 x1 jd + 1 cen                                                                                                                          14.000000000000000        1773.0000000000000       dymshitsetal_13                                                                                                                    
 x1 jd + 1 cen                                                                                                                          16.000000000000000        2173.0000000000000       dymshitsetal_13                                                                                                                    
 x1 py + 1 namj                                                                                                                         16.000000000000000        1773.0000000000000       dymshitsetal_13                                                                                                                    
 x1 py + 1 namj                                                                                                                         17.000000000000000        2173.0000000000000       dymshitsetal_13                                                                                                                    
 1 jd + 1 cen                                                                                                                           13.500000000000000        1823.0000000000000      gasparik_92                                                                                                                         
 1179  436 1 jd + 1 cen                                                                                                                            13.500    1823.0 gasparik_92                             F
 1 jd + 1 cen                                                                                                                           13.500000000000000        2373.0000000000000      gasparik_92                                                                                                                         
 1180  437 1 jd + 1 cen                                                                                                                            13.500    2373.0 gasparik_92                             F
 1 py + 1 namj                                                                                                                          13.500000000000000        1823.0000000000000      gasparik_92                                                                                                                         
 1181  438 1 py + 1 namj                                                                                                                           13.500    1823.0 gasparik_92                             F
 1 py + 1 namj                                                                                                                          13.500000000000000        2373.0000000000000      gasparik_92                                                                                                                         
 1182  439 1 py + 1 namj                                                                                                                           13.500    2373.0 gasparik_92                             F
 46 4 py + 100 12 capv = 30 4 gr + 24 3 mgmj                                                                                            19.899999999999999        1873.0000000000000      saikiaetal_08 S3549                                                                                                                 
 1183  440 46 4 py + 100 12 capv = 30 4 gr + 24 3 mgmj                                                                                             19.900    1873.0 saikiaetal_08                           F
 x85 4 py + 100 12 capv = 11 4 gr +  4 3 mgmj                                                                                           23.000000000000000        1873.0000000000000       saikiaetal_08 S3549                                                                                                                
 x27 4 py + 100 12 capv = 41 4 gr + 32 3 mgmj                                                                                           18.800000000000001        1873.0000000000000       saikiaetal_08 S3470                                                                                                                
 x78 4 py + 100 12 capv = 11 4 gr + 11 3 mgmj                                                                                           23.000000000000000        1873.0000000000000       saikiaetal_08 S3478                                                                                                                
 x100 2 mgc2 = 75 0 py + 25 1 mgmj                                                                                                      12.500000000000000        1723.0000000000000       gasparik_89                                                                                                                        
 x100 2 mgc2 = 67 0 py + 33 1 mgmj                                                                                                      14.000000000000000        1723.0000000000000       gasparik_89                                                                                                                        
 100 2 mgc2 = 72 0 py + 28 1 mgmj                                                                                                       12.500000000000000        1923.0000000000000      gasparik_89                                                                                                                         
 1189  441 100 2 mgc2 = 72 0 py + 28 1 mgmj                                                                                                        12.500    1923.0 gasparik_89                             F
 x100 2 mgc2 = 64 0 py + 36 1 mgmj                                                                                                      14.000000000000000        1923.0000000000000       gasparik_89                                                                                                                        
 x100 1 mgc2 = 9 1 cen + 91 0 di                                                                                                        14.000000000000000        1923.0000000000000       gasparik_89                                                                                                                        
 x100 1 mgc2 = 9 1 cen + 91 0 di                                                                                                        15.199999999999999        1923.0000000000000       gasparik_89                                                                                                                        
 x92 1 en + 50 0 di = 8 0 odi + 50 1 cen                                                                                                10.000000000000000        2023.0000000000000       gasparik_89                                                                                                                        
 x92 0 en + 50 1 di = 8 1 odi + 50 0 cen                                                                                                10.000000000000000        2023.0000000000000       gasparik_89                                                                                                                        
 x98 1 en + 60 0 di = 2 0 odi + 40 1 cen                                                                                                10.000000000000000        1923.0000000000000       gasparik_89                                                                                                                        
 x98 0 en + 60 1 di = 2 1 odi + 40 0 cen                                                                                                10.000000000000000        1923.0000000000000       gasparik_89                                                                                                                        
 x100 1 mgc2 = 30 1 cen + 70 0 di                                                                                                       10.000000000000000        1823.0000000000000       gasparik_89                                                                                                                        
 x100 1 mgc2 = 15 1 cen + 85 0 di                                                                                                       10.000000000000000        1723.0000000000000       gasparik_89                                                                                                                        
 x100 1 mgc2 =  5 1 cen + 95 0 di                                                                                                       10.000000000000000        1523.0000000000000       gasparik_89                                                                                                                        
 x979 1 en + 938 0 di =  21 0 odi +  62 1 cen                                                                                           2.0000000000000000        1173.0000000000000       perkinsnewton_80                                                                                                                   
 x979 0 en + 938 1 di =  21 1 odi +  62 0 cen                                                                                           2.0000000000000000        1173.0000000000000       perkinsnewton_80                                                                                                                   
 x981 1 en + 942 0 di =  19 0 odi +  58 1 cen                                                                                           2.5000000000000000        1173.0000000000000       perkinsnewton_80                                                                                                                   
 x981 0 en + 942 1 di =  19 1 odi +  58 0 cen                                                                                           2.5000000000000000        1173.0000000000000       perkinsnewton_80                                                                                                                   
 x989 1 en + 940 0 di =  11 0 odi +  60 1 cen                                                                                           3.0000000000000000        1173.0000000000000       perkinsnewton_80                                                                                                                   
 x989 0 en + 940 1 di =  11 1 odi +  60 0 cen                                                                                           3.0000000000000000        1173.0000000000000       perkinsnewton_80                                                                                                                   
 x970 1 en + 912 0 di =  30 0 odi +  78 1 cen                                                                                           2.0000000000000000        1273.0000000000000       perkinsnewton_80                                                                                                                   
 x970 0 en + 912 1 di =  30 1 odi +  78 0 cen                                                                                           2.0000000000000000        1273.0000000000000       perkinsnewton_80                                                                                                                   
 x973 1 en + 914 0 di =  27 0 odi +  87 1 cen                                                                                           2.5000000000000000        1273.0000000000000       perkinsnewton_80                                                                                                                   
 x973 0 en + 914 1 di =  27 1 odi +  87 0 cen                                                                                           2.5000000000000000        1273.0000000000000       perkinsnewton_80                                                                                                                   
 x975 1 en + 910 0 di =  25 0 odi +  90 1 cen                                                                                           3.0000000000000000        1273.0000000000000       perkinsnewton_80                                                                                                                   
 x975 0 en + 910 1 di =  25 1 odi +  90 0 cen                                                                                           3.0000000000000000        1273.0000000000000       perkinsnewton_80                                                                                                                   
 x975 1 en + 877 0 di =  25 0 odi + 123 1 cen                                                                                           2.5000000000000000        1373.0000000000000       perkinsnewton_80                                                                                                                   
 x975 0 en + 877 1 di =  25 1 odi + 123 0 cen                                                                                           2.5000000000000000        1373.0000000000000       perkinsnewton_80                                                                                                                   
 x973 1 en + 879 0 di =  27 0 odi + 121 1 cen                                                                                           3.0000000000000000        1373.0000000000000       perkinsnewton_80                                                                                                                   
 x973 0 en + 879 1 di =  27 1 odi + 121 0 cen                                                                                           3.0000000000000000        1373.0000000000000       perkinsnewton_80                                                                                                                   
 x990 1 en + 935 0 di =  10 0 odi +  65 1 cen                                                                                           1.5000000000000000        1123.0000000000000       carlsonlindsley_88                                                                                                                 
 x990 0 en + 935 1 di =  10 1 odi +  65 0 cen                                                                                           1.5000000000000000        1123.0000000000000       carlsonlindsley_88                                                                                                                 
 x970 1 en + 905 0 di =  30 0 odi +  95 1 cen                                                                                           1.5000000000000000        1273.0000000000000       carlsonlindsley_88                                                                                                                 
 x970 0 en + 905 1 di =  30 1 odi +  95 0 cen                                                                                           1.5000000000000000        1273.0000000000000       carlsonlindsley_88                                                                                                                 
 x955 1 en + 865 0 di =  45 0 odi + 135 1 cen                                                                                           1.5000000000000000        1373.0000000000000       carlsonlindsley_88                                                                                                                 
 x955 0 en + 865 1 di =  45 1 odi + 135 0 cen                                                                                           1.5000000000000000        1373.0000000000000       carlsonlindsley_88                                                                                                                 
 x940 1 en + 845 0 di =  60 0 odi + 155 1 cen                                                                                           1.5000000000000000        1473.0000000000000       carlsonlindsley_88                                                                                                                 
 x940 0 en + 845 1 di =  60 1 odi + 155 0 cen                                                                                           1.5000000000000000        1473.0000000000000       carlsonlindsley_88                                                                                                                 
 x915 1 en + 755 0 di =  85 0 odi + 245 1 cen                                                                                           1.5000000000000000        1573.0000000000000       carlsonlindsley_88                                                                                                                 
 x915 0 en + 755 1 di =  85 1 odi + 245 0 cen                                                                                           1.5000000000000000        1573.0000000000000       carlsonlindsley_88                                                                                                                 
 x890 1 en + 620 0 di = 110 0 odi + 390 1 cen                                                                                           1.5000000000000000        1673.0000000000000       carlsonlindsley_88                                                                                                                 
 x890 0 en + 620 1 di = 110 1 odi + 390 0 cen                                                                                           1.5000000000000000        1673.0000000000000       carlsonlindsley_88                                                                                                                 
 984 0 en + 931 1 di =  16 1 odi +  69 0 cen                                                                                            3.0000000000000000        1173.0000000000000      carlsonlindsley_88                                                                                                                  
 1228  442 984 0 en + 931 1 di =  16 1 odi +  69 0 cen                                                                                              3.000    1173.0 carlsonlindsley_88                      F
 989 0 en + 940 1 di =  11 1 odi +  60 0 cen                                                                                            3.0000000000000000        1173.0000000000000      carlsonlindsley_88                                                                                                                  
 1229  443 989 0 en + 940 1 di =  11 1 odi +  60 0 cen                                                                                              3.000    1173.0 carlsonlindsley_88                      F
 975 0 en + 910 1 di =  25 1 odi +  90 0 cen                                                                                            3.0000000000000000        1273.0000000000000      carlsonlindsley_88                                                                                                                  
 1230  444 975 0 en + 910 1 di =  25 1 odi +  90 0 cen                                                                                              3.000    1273.0 carlsonlindsley_88                      F
 973 0 en + 879 1 di =  27 1 odi + 121 0 cen                                                                                            3.0000000000000000        1373.0000000000000      carlsonlindsley_88                                                                                                                  
 1231  445 973 0 en + 879 1 di =  27 1 odi + 121 0 cen                                                                                              3.000    1373.0 carlsonlindsley_88                      F
 945 0 en + 863 1 di =  55 1 odi + 127 0 cen                                                                                            3.0000000000000000        1473.0000000000000      carlsonlindsley_88                                                                                                                  
 1232  446 945 0 en + 863 1 di =  55 1 odi + 127 0 cen                                                                                              3.000    1473.0 carlsonlindsley_88                      F
 898 0 en + 564 1 di = 102 1 odi + 436 0 cen                                                                                            3.0000000000000000        1773.0000000000000      carlsonlindsley_88                                                                                                                  
 1233  447 898 0 en + 564 1 di = 102 1 odi + 436 0 cen                                                                                              3.000    1773.0 carlsonlindsley_88                      F
 891 0 en + 555 1 di = 109 1 odi + 445 0 cen                                                                                            3.0000000000000000        1773.0000000000000      carlsonlindsley_88                                                                                                                  
 1234  448 891 0 en + 555 1 di = 109 1 odi + 445 0 cen                                                                                              3.000    1773.0 carlsonlindsley_88                      F
 984 1 en + 931 0 di =  16 0 odi +  69 1 cen                                                                                            3.0000000000000000        1173.0000000000000      carlsonlindsley_88                                                                                                                  
 1235  449 984 1 en + 931 0 di =  16 0 odi +  69 1 cen                                                                                              3.000    1173.0 carlsonlindsley_88                      F
 989 1 en + 940 0 di =  11 0 odi +  60 1 cen                                                                                            3.0000000000000000        1173.0000000000000      carlsonlindsley_88                                                                                                                  
 1236  450 989 1 en + 940 0 di =  11 0 odi +  60 1 cen                                                                                              3.000    1173.0 carlsonlindsley_88                      F
 975 1 en + 910 0 di =  25 0 odi +  90 1 cen                                                                                            3.0000000000000000        1273.0000000000000      carlsonlindsley_88                                                                                                                  
 1237  451 975 1 en + 910 0 di =  25 0 odi +  90 1 cen                                                                                              3.000    1273.0 carlsonlindsley_88                      F
 973 1 en + 879 0 di =  27 0 odi + 121 1 cen                                                                                            3.0000000000000000        1373.0000000000000      carlsonlindsley_88                                                                                                                  
 1238  452 973 1 en + 879 0 di =  27 0 odi + 121 1 cen                                                                                              3.000    1373.0 carlsonlindsley_88                      F
 945 1 en + 863 0 di =  55 0 odi + 127 1 cen                                                                                            3.0000000000000000        1473.0000000000000      carlsonlindsley_88                                                                                                                  
 1239  453 945 1 en + 863 0 di =  55 0 odi + 127 1 cen                                                                                              3.000    1473.0 carlsonlindsley_88                      F
 898 1 en + 564 0 di = 102 0 odi + 436 1 cen                                                                                            3.0000000000000000        1773.0000000000000      carlsonlindsley_88                                                                                                                  
 1240  454 898 1 en + 564 0 di = 102 0 odi + 436 1 cen                                                                                              3.000    1773.0 carlsonlindsley_88                      F
 891 1 en + 555 0 di = 109 0 odi + 445 1 cen                                                                                            3.0000000000000000        1773.0000000000000      carlsonlindsley_88                                                                                                                  
 1241  455 891 1 en + 555 0 di = 109 0 odi + 445 1 cen                                                                                              3.000    1773.0 carlsonlindsley_88                      F
 80 2 he + 875 1 en = 920 2 di + 125 1 fs                                                                                               1.5000000000000000        1263.0000000000000      lindsley_83 (29)                                                                                                                    
 1242  456 80 2 he + 875 1 en = 920 2 di + 125 1 fs                                                                                                 1.500    1263.0 lindsley_83                             F
 x80 2 he + 875 1 en = 920 2 di + 125 1 fs                                                                                              1.5000000000000000        1083.0000000000000       lindsley_83 (29)                                                                                                                   
 x42 1 cfs + 875 0 en = 958 0 di + 125 1 fs                                                                                             1.5000000000000000        1263.0000000000000       lindsley_83 (29)                                                                                                                   
 x42 1 cfs + 875 0 en = 958 0 di + 125 1 fs                                                                                             1.5000000000000000        1083.0000000000000       lindsley_83 (29)                                                                                                                   
 706 2 fo + 804 1 wu = 294 2 fa + 196 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1246  457 706 2 fo + 804 1 wu = 294 2 fa + 196 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 983 2 fo +  35 1 wu =  17 2 fa + 965 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1247  458 983 2 fo +  35 1 wu =  17 2 fa + 965 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 937 2 fo + 212 1 wu =  63 2 fa + 788 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1248  459 937 2 fo + 212 1 wu =  63 2 fa + 788 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 949 2 fo + 151 1 wu =  51 2 fa + 849 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1249  460 949 2 fo + 151 1 wu =  51 2 fa + 849 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 920 2 fo + 267 1 wu =  80 2 fa + 733 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1250  461 920 2 fo + 267 1 wu =  80 2 fa + 733 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 977 2 fo + 173 1 wu =  63 2 fa + 827 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1251  462 977 2 fo + 173 1 wu =  63 2 fa + 827 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 887 2 fo + 428 1 wu = 113 2 fa + 572 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1252  463 887 2 fo + 428 1 wu = 113 2 fa + 572 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 870 2 fo + 469 1 wu = 130 2 fa + 531 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1253  464 870 2 fo + 469 1 wu = 130 2 fa + 531 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 797 2 fo + 696 1 wu = 203 2 fa + 304 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1254  465 797 2 fo + 696 1 wu = 203 2 fa + 304 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 913 2 fo + 287 1 wu =  87 2 fa + 713 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1255  466 913 2 fo + 287 1 wu =  87 2 fa + 713 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 899 2 fo + 383 1 wu = 101 2 fa + 617 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208 error in pe content corre                                                                                            
 1256  467 899 2 fo + 383 1 wu = 101 2 fa + 617 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 754 2 fo + 761 1 wu = 246 2 fa + 239 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1257  468 754 2 fo + 761 1 wu = 246 2 fa + 239 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 748 2 fo + 783 1 wu = 252 2 fa + 217 1 pe                                                                                              11.000000000000000        1673.0000000000000      frost_03b V208                                                                                                                      
 1258  469 748 2 fo + 783 1 wu = 252 2 fa + 217 1 pe                                                                                               11.000    1673.0 frost_03b                               F
 x945 2 fo + 153 1 wu =  55 2 fa + 847 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x924 2 fo + 233 1 wu =  76 2 fa + 767 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x880 2 fo + 448 1 wu = 120 2 fa + 552 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x903 2 fo + 304 1 wu =  97 2 fa + 696 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x837 2 fo + 527 1 wu = 163 2 fa + 473 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x906 2 fo + 285 1 wu =  94 2 fa + 715 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x932 2 fo + 184 1 wu =  68 2 fa + 816 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x906 2 fo + 309 1 wu =  94 2 fa + 691 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x604 2 fo + 861 1 wu = 396 2 fa + 139 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x552 2 fo + 886 1 wu = 448 2 fa + 114 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x334 2 fo + 951 1 wu = 666 2 fa +  49 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x754 2 fo + 711 1 wu = 246 2 fa + 289 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x714 2 fo + 764 1 wu = 286 2 fa + 236 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x902 2 fo + 310 1 wu =  98 2 fa + 690 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x882 2 fo + 398 1 wu = 118 2 fa + 602 1 pe                                                                                             6.0000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 x92 2 fo + 29 1 wu =  8 2 fa + 71 1 pe                                                                                                 0.0000000000000000        1400.0000000000000       wiserwood_91                                                                                                                       
 x92 2 fo + 29 1 wu =  8 2 fa + 71 1 pe                                                                                                 0.0000000000000000        1400.0000000000000       wiserwood_91                                                                                                                       
 x75 2 fo + 79 1 wu = 25 2 fa + 21 1 pe                                                                                                 0.0000000000000000        1400.0000000000000       wiserwood_91                                                                                                                       
 x75 2 fo + 78 1 wu = 25 2 fa + 22 1 pe                                                                                                 0.0000000000000000        1400.0000000000000       wiserwood_91                                                                                                                       
 x52 2 fo + 91 1 wu = 48 2 fa +  9 1 pe                                                                                                 0.0000000000000000        1400.0000000000000       wiserwood_91                                                                                                                       
 x62 2 fo + 88 1 wu = 38 2 fa + 12 1 pe                                                                                                 0.0000000000000000        1400.0000000000000       wiserwood_91                                                                                                                       
 x23 2 fo + 98 1 wu = 77 2 fa +  2 1 pe                                                                                                 0.0000000000000000        1400.0000000000000       wiserwood_91                                                                                                                       
 x35 2 fo + 96 1 wu = 65 2 fa +  4 1 pe                                                                                                 0.0000000000000000        1400.0000000000000       wiserwood_91                                                                                                                       
 x48 2 fo + 93 1 wu = 52 2 fa +  7 1 pe                                                                                                 0.0000000000000000        1400.0000000000000       wiserwood_91                                                                                                                       
 x80 2 fo + 78 1 wu = 20 2 fa + 22 1 pe                                                                                                 9.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x79 2 fo + 83 1 wu = 21 2 fa + 17 1 pe                                                                                                 9.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x53 2 fo + 93 1 wu = 47 2 fa +  7 1 pe                                                                                                 9.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x85 2 fo + 67 1 wu = 15 2 fa + 33 1 pe                                                                                                 9.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x86 2 fo + 65 1 wu = 14 2 fa + 35 1 pe                                                                                                 9.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x86 2 fo + 66 1 wu = 14 2 fa + 34 1 pe                                                                                                 9.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x86 2 fo + 62 1 wu = 14 2 fa + 38 1 pe                                                                                                 4.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x79 2 fo + 76 1 wu = 21 2 fa + 24 1 pe                                                                                                 4.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x80 2 fo + 71 1 wu = 20 2 fa + 29 1 pe                                                                                                 4.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x59 2 fo + 89 1 wu = 41 2 fa + 11 1 pe                                                                                                 4.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x94 2 fo + 22 1 wu =  6 2 fa + 78 1 pe                                                                                                 4.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x94 2 fo + 19 1 wu =  6 2 fa + 81 1 pe                                                                                                 2.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x94 2 fo + 20 1 wu =  6 2 fa + 80 1 pe                                                                                                 2.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x94 2 fo + 21 1 wu =  6 2 fa + 79 1 pe                                                                                                 2.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x95 2 fo + 16 1 wu =  5 2 fa + 84 1 pe                                                                                                 2.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x81 2 fo + 74 1 wu = 19 2 fa + 26 1 pe                                                                                                 2.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x79 2 fo + 73 1 wu = 21 2 fa + 27 1 pe                                                                                                 2.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x86 2 fo + 60 1 wu = 14 2 fa + 40 1 pe                                                                                                 2.0000000000000000        1723.0000000000000       feietal_91                                                                                                                         
 x83 2 fo + 77 1 wu = 17 2 fa + 23 1 pe                                                                                                 2.0000000000000000        1473.0000000000000       feietal_91                                                                                                                         
 x80 2 fo + 82 1 wu = 20 2 fa + 18 1 pe                                                                                                 2.0000000000000000        1473.0000000000000       feietal_91                                                                                                                         
 x79 2 fo + 85 1 wu = 21 2 fa + 15 1 pe                                                                                                 2.0000000000000000        1473.0000000000000       feietal_91                                                                                                                         
 x79 2 fo + 85 1 wu = 21 2 fa + 15 1 pe                                                                                                 2.0000000000000000        1473.0000000000000       feietal_91                                                                                                                         
 x79 2 fo + 83 1 wu = 21 2 fa + 17 1 pe                                                                                                 2.0000000000000000        1473.0000000000000       feietal_91                                                                                                                         
 x94 2 fo + 23 1 wu =  6 2 fa + 77 1 pe                                                                                                 2.0000000000000000        1473.0000000000000       feietal_91                                                                                                                         
 x59 2 fo + 93 1 wu = 41 2 fa +  7 1 pe                                                                                                 2.0000000000000000        1473.0000000000000       feietal_91                                                                                                                         
 x86 2 fo + 68 1 wu = 14 2 fa + 32 1 pe                                                                                                 2.0000000000000000        1473.0000000000000       feietal_91                                                                                                                         
 x88 2 mgwa + 32 1 wu = 12 2 fewa + 68 1 pe                                                                                             15.000000000000000        1773.0000000000000       feietal_91                                                                                                                         
 x90 2 mgwa + 25 1 wu = 10 2 fewa + 75 1 pe                                                                                             15.000000000000000        1773.0000000000000       feietal_91                                                                                                                         
 x86 2 mgwa + 31 1 wu = 14 2 fewa + 69 1 pe                                                                                             15.000000000000000        1773.0000000000000       feietal_91                                                                                                                         
 x49 2 mgri + 75 1 wu = 51 2 feri + 25 1 pe                                                                                             15.000000000000000        1773.0000000000000       feietal_91                                                                                                                         
 x30 2 mgri + 90 1 wu = 70 2 feri + 10 1 pe                                                                                             15.000000000000000        1773.0000000000000       feietal_91                                                                                                                         
 x63 2 mgri + 59 1 wu = 37 2 feri + 41 1 pe                                                                                             15.000000000000000        1773.0000000000000       feietal_91                                                                                                                         
 x27 2 mgri + 92 1 wu = 73 2 feri +  8 2 pe                                                                                             15.000000000000000        1773.0000000000000       feietal_91                                                                                                                         
 x16 2 mgri + 95 1 wu = 84 2 feri +  5 2 pe                                                                                             15.000000000000000        1773.0000000000000       feietal_91                                                                                                                         
 x95 4 mgpv + 27 1 wu =  5 4 fepv + 83 1 pe                                                                                             26.000000000000000        1673.0000000000000       feietal_91                                                                                                                         
 x93 4 mgpv + 38 1 wu =  7 4 fepv + 62 1 pe                                                                                             26.000000000000000        1673.0000000000000       feietal_91                                                                                                                         
 x89 4 mgpv + 48 1 wu = 11 4 fepv + 52 1 pe                                                                                             26.000000000000000        1673.0000000000000       feietal_91                                                                                                                         
 x798 3 mgri + 144 2 al = 202 3 feri + 856 2 py                                                                                         18.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x665 3 mgri + 241 2 al = 335 3 feri + 759 2 py                                                                                         18.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x466 3 mgri + 405 2 al = 534 3 feri + 595 2 py                                                                                         18.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 xx856 4 py + 327 3 wu = 144 4 al + 673 3 pe                                                                                            18.000000000000000        1673.0000000000000        frost_03                                                                                                                          
 xx759 4 py + 581 3 wu = 241 4 al + 419 3 pe                                                                                            18.000000000000000        1673.0000000000000        frost_03                                                                                                                          
 x643 3 mgri + 257 2 al = 357 3 feri + 743 2 py                                                                                         15.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x422 3 mgri + 426 2 al = 578 3 feri + 574 2 py                                                                                         15.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x206 3 mgri + 642 2 al = 794 3 feri + 358 2 py                                                                                         15.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 xx743 4 py + 592 3 wu = 257 4 al + 408 3 pe                                                                                            15.000000000000000        1673.0000000000000        frost_03                                                                                                                          
 x853 3 mgwa + 149 2 al = 147 3 fewa + 851 2 py                                                                                         13.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x791 3 mgwa + 214 2 al = 209 3 fewa + 786 2 py                                                                                         13.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x218 3 mgri + 635 2 al = 782 3 feri + 365 2 py                                                                                         13.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x432 3 mgri + 404 2 al = 568 3 feri + 596 2 py                                                                                         13.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x830 3 mgri + 126 2 al = 170 3 feri + 874 2 py                                                                                         19.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x846 3 mgri + 104 2 al = 154 3 feri + 896 2 py                                                                                         19.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x830 3 mgri + 124 2 al = 170 3 feri + 876 2 py                                                                                         19.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x664 3 mgri + 238 2 al = 336 3 feri + 762 2 py                                                                                         19.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x414 3 mgri + 437 2 al = 586 3 feri + 563 2 py                                                                                         19.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x209 3 mgri + 641 2 al = 791 3 feri + 359 2 py                                                                                         19.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x431 3 mgri + 428 2 al = 569 3 feri + 572 2 py                                                                                         19.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x822 3 mgri + 135 2 al = 178 3 feri + 865 2 py                                                                                         18.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x659 3 mgri + 239 2 al = 341 3 feri + 761 2 py                                                                                         18.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x412 3 mgri + 438 2 al = 588 3 feri + 562 2 py                                                                                         18.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x449 3 mgri + 403 2 al = 551 3 feri + 597 2 py                                                                                         18.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x825 3 mgri + 124 2 al = 175 3 feri + 876 2 py                                                                                         18.000000000000000        1773.0000000000000       frost_03                                                                                                                           
 x879 3 mgwa + 124 2 al = 121 3 fewa + 876 2 py                                                                                         18.000000000000000        1773.0000000000000       frost_03                                                                                                                           
 xx876 4 py + 254 3 wu = 124 4 al + 746 3 pe                                                                                            18.000000000000000        1773.0000000000000        frost_03                                                                                                                          
 x572 3 fo + 505 2 al = 428 3 fa + 495 2 py                                                                                             9.5000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x781 3 fo + 283 2 al = 219 3 fa + 717 2 py                                                                                             9.5000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x679 3 fo + 406 2 al = 321 3 fa + 594 2 py                                                                                             9.5000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x782 3 fo + 293 2 al = 218 3 fa + 707 2 py                                                                                             9.5000000000000000        1673.0000000000000       frost_03                                                                                                                           
 190 3 fo + 828 2 al = 810 3 fa + 172 2 py                                                                                             0.91000000000000003        1273.0000000000000      hacklerwood_89                                                                                                                      
 1351  470 190 3 fo + 828 2 al = 810 3 fa + 172 2 py                                                                                                0.910    1273.0 hacklerwood_89                          F
 204 3 fo + 807 2 al = 796 3 fa + 193 2 py                                                                                             0.91000000000000003        1273.0000000000000      hacklerwood_89                                                                                                                      
 1352  471 204 3 fo + 807 2 al = 796 3 fa + 193 2 py                                                                                                0.910    1273.0 hacklerwood_89                          F
 530 3 fo + 530 2 al = 470 3 fa + 470 2 py                                                                                             0.91000000000000003        1273.0000000000000      hacklerwood_89                                                                                                                      
 1353  472 530 3 fo + 530 2 al = 470 3 fa + 470 2 py                                                                                                0.910    1273.0 hacklerwood_89                          F
 558 3 fo + 514 2 al = 442 3 fa + 486 2 py                                                                                             0.91000000000000003        1273.0000000000000      hacklerwood_89                                                                                                                      
 1354  473 558 3 fo + 514 2 al = 442 3 fa + 486 2 py                                                                                                0.910    1273.0 hacklerwood_89                          F
 453 3 fo + 590 2 al = 547 3 fa + 410 2 py                                                                                             0.91000000000000003        1273.0000000000000      hacklerwood_89                                                                                                                      
 1355  474 453 3 fo + 590 2 al = 547 3 fa + 410 2 py                                                                                                0.910    1273.0 hacklerwood_89                          F
 401 3 fo + 628 2 al = 599 3 fa + 372 2 py                                                                                             0.91000000000000003        1273.0000000000000      hacklerwood_89                                                                                                                      
 1356  475 401 3 fo + 628 2 al = 599 3 fa + 372 2 py                                                                                                0.910    1273.0 hacklerwood_89                          F
 95 3 fo + 905 2 al = 905 3 fa +  95 2 py                                                                                              0.91000000000000003        1273.0000000000000      hacklerwood_89 This was entered incorrec                                                                                            
 1357  476 95 3 fo + 905 2 al = 905 3 fa +  95 2 py                                                                                                 0.910    1273.0 hacklerwood_89                          F
 135 3 fo + 889 2 al = 865 3 fa + 111 2 py                                                                                             0.91000000000000003        1273.0000000000000      hacklerwood_89                                                                                                                      
 1358  477 135 3 fo + 889 2 al = 865 3 fa + 111 2 py                                                                                                0.910    1273.0 hacklerwood_89                          F
 688 3 fo + 377 2 al = 312 3 fa + 623 2 py                                                                                             0.91000000000000003        1273.0000000000000      hacklerwood_89                                                                                                                      
 1359  478 688 3 fo + 377 2 al = 312 3 fa + 623 2 py                                                                                                0.910    1273.0 hacklerwood_89                          F
 745 3 fo + 335 2 al = 255 3 fa + 665 2 py                                                                                             0.91000000000000003        1273.0000000000000      hacklerwood_89                                                                                                                      
 1360  479 745 3 fo + 335 2 al = 255 3 fa + 665 2 py                                                                                                0.910    1273.0 hacklerwood_89                          F
 x194 3 mgri + 639 2 al = 806 3 feri + 361 2 py                                                                                         9.5000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x856 3 mgwa + 148 2 al = 144 3 fewa + 852 2 py                                                                                         14.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x627 3 mgri + 267 2 al = 373 3 feri + 733 2 py                                                                                         14.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x630 3 mgri + 272 2 al = 370 3 feri + 728 2 py                                                                                         14.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x154 3 mgri + 733 2 al = 846 3 feri + 267 2 py                                                                                         14.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x202 3 mgri + 636 2 al = 798 3 feri + 364 2 py                                                                                         14.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x423 3 mgri + 420 2 al = 577 3 feri + 580 2 py                                                                                         14.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x660 3 mgri + 240 2 al = 340 3 feri + 760 2 py                                                                                         18.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x699 3 mgri + 218 2 al = 301 3 feri + 782 2 py                                                                                         18.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 x831 3 mgri + 124 2 al = 169 3 feri + 876 2 py                                                                                         18.000000000000000        1673.0000000000000       frost_03                                                                                                                           
 873 2 mgri + 172 1 wu = 127 2 feri + 828 1 pe                                                                                          23.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1371  480 873 2 mgri + 172 1 wu = 127 2 feri + 828 1 pe                                                                                           23.500    1773.0 frostetal_01                            F
 859 2 mgri + 196 1 wu = 141 2 feri + 804 1 pe                                                                                          23.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1372  481 859 2 mgri + 196 1 wu = 141 2 feri + 804 1 pe                                                                                           23.500    1773.0 frostetal_01                            F
 773 2 mgri + 360 1 wu = 227 2 feri + 640 1 pe                                                                                          23.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1373  482 773 2 mgri + 360 1 wu = 227 2 feri + 640 1 pe                                                                                           23.500    1773.0 frostetal_01                            F
 770 2 mgri + 368 1 wu = 230 2 feri + 632 1 pe                                                                                          23.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1374  483 770 2 mgri + 368 1 wu = 230 2 feri + 632 1 pe                                                                                           23.500    1773.0 frostetal_01                            F
 883 2 mgri + 167 1 wu = 117 2 feri + 833 1 pe                                                                                          23.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1375  484 883 2 mgri + 167 1 wu = 117 2 feri + 833 1 pe                                                                                           23.500    1773.0 frostetal_01                            F
 881 2 mgri + 168 1 wu = 119 2 feri + 832 1 pe                                                                                          23.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1376  485 881 2 mgri + 168 1 wu = 119 2 feri + 832 1 pe                                                                                           23.500    1773.0 frostetal_01                            F
 853 2 mgri + 205 1 wu = 147 2 feri + 795 1 pe                                                                                          22.000000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1377  486 853 2 mgri + 205 1 wu = 147 2 feri + 795 1 pe                                                                                           22.000    1773.0 frostetal_01                            F
 898 2 mgri + 138 1 wu = 102 2 feri + 862 1 pe                                                                                          22.000000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1378  487 898 2 mgri + 138 1 wu = 102 2 feri + 862 1 pe                                                                                           22.000    1773.0 frostetal_01                            F
 897 2 mgri + 139 1 wu = 103 2 feri + 861 1 pe                                                                                          22.000000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1379  488 897 2 mgri + 139 1 wu = 103 2 feri + 861 1 pe                                                                                           22.000    1773.0 frostetal_01                            F
 880 2 mgri + 155 1 wu = 120 2 feri + 845 1 pe                                                                                          22.000000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1380  489 880 2 mgri + 155 1 wu = 120 2 feri + 845 1 pe                                                                                           22.000    1773.0 frostetal_01                            F
 703 2 mgri + 490 1 wu = 297 2 feri + 510 1 pe                                                                                          17.500000000000000        1673.0000000000000      frostetal_01                                                                                                                        
 1381  490 703 2 mgri + 490 1 wu = 297 2 feri + 510 1 pe                                                                                           17.500    1673.0 frostetal_01                            F
 544 2 mgri + 715 1 wu = 456 2 feri + 285 1 pe                                                                                          17.500000000000000        1673.0000000000000      frostetal_01                                                                                                                        
 1382  491 544 2 mgri + 715 1 wu = 456 2 feri + 285 1 pe                                                                                           17.500    1673.0 frostetal_01                            F
 255 2 mgri + 918 1 wu = 745 2 feri +  82 1 pe                                                                                          17.500000000000000        1673.0000000000000      frostetal_01                                                                                                                        
 1383  492 255 2 mgri + 918 1 wu = 745 2 feri +  82 1 pe                                                                                           17.500    1673.0 frostetal_01                            F
 637 2 mgri + 587 1 wu = 363 2 feri + 413 1 pe                                                                                          17.500000000000000        1673.0000000000000      frostetal_01                                                                                                                        
 1384  493 637 2 mgri + 587 1 wu = 363 2 feri + 413 1 pe                                                                                           17.500    1673.0 frostetal_01                            F
 540 2 mgri + 717 1 wu = 460 2 feri + 283 1 pe                                                                                          17.500000000000000        1673.0000000000000      frostetal_01                                                                                                                        
 1385  494 540 2 mgri + 717 1 wu = 460 2 feri + 283 1 pe                                                                                           17.500    1673.0 frostetal_01                            F
 520 2 mgri + 737 1 wu = 480 2 feri + 263 1 pe                                                                                          17.500000000000000        1673.0000000000000      frostetal_01                                                                                                                        
 1386  495 520 2 mgri + 737 1 wu = 480 2 feri + 263 1 pe                                                                                           17.500    1673.0 frostetal_01                            F
 500 2 mgri + 758 1 wu = 500 2 feri + 242 1 pe                                                                                          17.500000000000000        1673.0000000000000      frostetal_01                                                                                                                        
 1387  496 500 2 mgri + 758 1 wu = 500 2 feri + 242 1 pe                                                                                           17.500    1673.0 frostetal_01                            F
 779 2 mgri + 338 1 wu = 221 2 feri + 662 1 pe                                                                                          17.500000000000000        1673.0000000000000      frostetal_01                                                                                                                        
 1388  497 779 2 mgri + 338 1 wu = 221 2 feri + 662 1 pe                                                                                           17.500    1673.0 frostetal_01                            F
 646 2 mgri + 574 1 wu = 354 2 feri + 426 1 pe                                                                                          17.500000000000000        1673.0000000000000      frostetal_01                                                                                                                        
 1389  498 646 2 mgri + 574 1 wu = 354 2 feri + 426 1 pe                                                                                           17.500    1673.0 frostetal_01                            F
 469 2 mgri + 788 1 wu = 531 2 feri + 212 1 pe                                                                                          17.500000000000000        1673.0000000000000      frostetal_01                                                                                                                        
 1390  499 469 2 mgri + 788 1 wu = 531 2 feri + 212 1 pe                                                                                           17.500    1673.0 frostetal_01                            F
 888 2 mgri + 150 1 wu = 112 2 feri + 850 1 pe                                                                                          21.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1391  500 888 2 mgri + 150 1 wu = 112 2 feri + 850 1 pe                                                                                           21.500    1773.0 frostetal_01                            F
 839 2 mgri + 229 1 wu = 161 2 feri + 771 1 pe                                                                                          21.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1392  501 839 2 mgri + 229 1 wu = 161 2 feri + 771 1 pe                                                                                           21.500    1773.0 frostetal_01                            F
 846 2 mgri + 232 1 wu = 154 2 feri + 768 1 pe                                                                                          21.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1393  502 846 2 mgri + 232 1 wu = 154 2 feri + 768 1 pe                                                                                           21.500    1773.0 frostetal_01                            F
 896 2 mgri + 138 1 wu = 104 2 feri + 862 1 pe                                                                                          21.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1394  503 896 2 mgri + 138 1 wu = 104 2 feri + 862 1 pe                                                                                           21.500    1773.0 frostetal_01                            F
 877 2 mgri + 165 1 wu = 123 2 feri + 835 1 pe                                                                                          21.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1395  504 877 2 mgri + 165 1 wu = 123 2 feri + 835 1 pe                                                                                           21.500    1773.0 frostetal_01                            F
 850 2 mgri + 205 1 wu = 150 2 feri + 795 1 pe                                                                                          21.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1396  505 850 2 mgri + 205 1 wu = 150 2 feri + 795 1 pe                                                                                           21.500    1773.0 frostetal_01                            F
 851 2 mgri + 216 1 wu = 149 2 feri + 784 1 pe                                                                                          21.500000000000000        1773.0000000000000      frostetal_01                                                                                                                        
 1397  506 851 2 mgri + 216 1 wu = 149 2 feri + 784 1 pe                                                                                           21.500    1773.0 frostetal_01                            F
 747 2 mgri + 386 1 wu = 253 2 feri + 614 1 pe                                                                                          17.500000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1398  507 747 2 mgri + 386 1 wu = 253 2 feri + 614 1 pe                                                                                           17.500    1873.0 frostetal_01                            F
 770 2 mgri + 354 1 wu = 230 2 feri + 646 1 pe                                                                                          17.500000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1399  508 770 2 mgri + 354 1 wu = 230 2 feri + 646 1 pe                                                                                           17.500    1873.0 frostetal_01                            F
 568 2 mgri + 681 1 wu = 432 2 feri + 319 1 pe                                                                                          17.500000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1400  509 568 2 mgri + 681 1 wu = 432 2 feri + 319 1 pe                                                                                           17.500    1873.0 frostetal_01                            F
 602 2 mgri + 635 1 wu = 398 2 feri + 365 1 pe                                                                                          17.500000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1401  510 602 2 mgri + 635 1 wu = 398 2 feri + 365 1 pe                                                                                           17.500    1873.0 frostetal_01                            F
 706 2 mgri + 463 1 wu = 294 2 feri + 537 1 pe                                                                                          17.500000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1402  511 706 2 mgri + 463 1 wu = 294 2 feri + 537 1 pe                                                                                           17.500    1873.0 frostetal_01                            F
 803 2 mgri + 290 1 wu = 197 2 feri + 710 1 pe                                                                                          17.500000000000000        1473.0000000000000      frostetal_01                                                                                                                        
 1403  512 803 2 mgri + 290 1 wu = 197 2 feri + 710 1 pe                                                                                           17.500    1473.0 frostetal_01                            F
 716 2 mgri + 496 1 wu = 284 2 feri + 504 1 pe                                                                                          17.500000000000000        1473.0000000000000      frostetal_01                                                                                                                        
 1404  513 716 2 mgri + 496 1 wu = 284 2 feri + 504 1 pe                                                                                           17.500    1473.0 frostetal_01                            F
 484 2 mgri + 783 1 wu = 516 2 feri + 217 1 pe                                                                                          17.500000000000000        1473.0000000000000      frostetal_01                                                                                                                        
 1405  514 484 2 mgri + 783 1 wu = 516 2 feri + 217 1 pe                                                                                           17.500    1473.0 frostetal_01                            F
 546 2 mgri + 729 1 wu = 454 2 feri + 271 1 pe                                                                                          17.500000000000000        1473.0000000000000      frostetal_01                                                                                                                        
 1406  515 546 2 mgri + 729 1 wu = 454 2 feri + 271 1 pe                                                                                           17.500    1473.0 frostetal_01                            F
 253 2 mgri + 921 1 wu = 747 2 feri +  79 1 pe                                                                                          17.500000000000000        1473.0000000000000      frostetal_01                                                                                                                        
 1407  516 253 2 mgri + 921 1 wu = 747 2 feri +  79 1 pe                                                                                           17.500    1473.0 frostetal_01                            F
 500 2 mgri + 770 1 wu = 500 2 feri + 230 1 pe                                                                                          11.000000000000000        1273.0000000000000      frostetal_01                                                                                                                        
 1408  517 500 2 mgri + 770 1 wu = 500 2 feri + 230 1 pe                                                                                           11.000    1273.0 frostetal_01                            F
 455 2 mgri + 813 1 wu = 545 2 feri + 187 1 pe                                                                                          11.000000000000000        1273.0000000000000      frostetal_01                                                                                                                        
 1409  518 455 2 mgri + 813 1 wu = 545 2 feri + 187 1 pe                                                                                           11.000    1273.0 frostetal_01                            F
 556 2 mgri + 729 1 wu = 444 2 feri + 271 1 pe                                                                                          11.000000000000000        1273.0000000000000      frostetal_01                                                                                                                        
 1410  519 556 2 mgri + 729 1 wu = 444 2 feri + 271 1 pe                                                                                           11.000    1273.0 frostetal_01                            F
 851 2 mgri + 201 1 wu = 149 2 feri + 799 1 pe                                                                                          21.500000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1411  520 851 2 mgri + 201 1 wu = 149 2 feri + 799 1 pe                                                                                           21.500    1873.0 frostetal_01                            F
 822 2 mgri + 261 1 wu = 178 2 feri + 739 1 pe                                                                                          21.500000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1412  521 822 2 mgri + 261 1 wu = 178 2 feri + 739 1 pe                                                                                           21.500    1873.0 frostetal_01                            F
 792 2 mgri + 294 1 wu = 208 2 feri + 706 1 pe                                                                                          21.500000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1413  522 792 2 mgri + 294 1 wu = 208 2 feri + 706 1 pe                                                                                           21.500    1873.0 frostetal_01                            F
 868 2 mgri + 183 1 wu = 132 2 feri + 817 1 pe                                                                                          21.500000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1414  523 868 2 mgri + 183 1 wu = 132 2 feri + 817 1 pe                                                                                           21.500    1873.0 frostetal_01                            F
 869 2 mgri + 179 1 wu = 131 2 feri + 821 1 pe                                                                                          21.500000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1415  524 869 2 mgri + 179 1 wu = 131 2 feri + 821 1 pe                                                                                           21.500    1873.0 frostetal_01                            F
 657 2 mgri + 556 1 wu = 343 2 feri + 444 1 pe                                                                                          21.000000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1416  525 657 2 mgri + 556 1 wu = 343 2 feri + 444 1 pe                                                                                           21.000    1873.0 frostetal_01                            F
 772 2 mgri + 358 1 wu = 228 2 feri + 642 1 pe                                                                                          21.000000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1417  526 772 2 mgri + 358 1 wu = 228 2 feri + 642 1 pe                                                                                           21.000    1873.0 frostetal_01                            F
 788 2 mgri + 310 1 wu = 212 2 feri + 690 1 pe                                                                                          21.000000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1418  527 788 2 mgri + 310 1 wu = 212 2 feri + 690 1 pe                                                                                           21.000    1873.0 frostetal_01                            F
 785 2 mgri + 323 1 wu = 215 2 feri + 677 1 pe                                                                                          21.000000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1419  528 785 2 mgri + 323 1 wu = 215 2 feri + 677 1 pe                                                                                           21.000    1873.0 frostetal_01                            F
 682 2 mgri + 513 1 wu = 318 2 feri + 487 1 pe                                                                                          21.000000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1420  529 682 2 mgri + 513 1 wu = 318 2 feri + 487 1 pe                                                                                           21.000    1873.0 frostetal_01                            F
 621 2 mgri + 620 1 wu = 379 2 feri + 380 1 pe                                                                                          21.000000000000000        1873.0000000000000      frostetal_01                                                                                                                        
 1421  530 621 2 mgri + 620 1 wu = 379 2 feri + 380 1 pe                                                                                           21.000    1873.0 frostetal_01                            F
 x951 1 fo +  77 0 fewa =  49 0 fa + 923 1 mgwa                                                                                         14.680000000000000        1900.0000000000000       katsuraetal_04a (25) (14.84)                                                                                                       
 x906 1 fo + 148 0 fewa =  94 0 fa + 852 1 mgwa                                                                                         14.100000000000000        1900.0000000000000       katsuraetal_04a (25) (14.26)                                                                                                       
 x863 1 fo + 208 0 fewa = 137 0 fa + 792 1 mgwa                                                                                         13.750000000000000        1900.0000000000000       katsuraetal_04a (25) (13.91)                                                                                                       
 x876 1 fo + 218 0 fewa = 124 0 fa + 782 1 mgwa                                                                                         12.619999999999999        1600.0000000000000       katsuraetal_04a (25) (12.78)                                                                                                       
 x979 1 fo +  53 0 fewa =  21 0 fa + 947 1 mgwa                                                                                         13.699999999999999        1600.0000000000000       katsuraetal_04a (25) (13.86)                                                                                                       
 x915 1 fo + 160 0 fewa =  85 0 fa + 840 1 mgwa                                                                                         12.930000000000000        1600.0000000000000       katsuraetal_04a (25) (13.09)                                                                                                       
 x951 0 fo +  77 1 fewa =  49 1 fa + 923 0 mgwa                                                                                         14.680000000000000        1900.0000000000000       katsuraetal_04a (25) (14.84)                                                                                                       
 x906 0 fo + 148 1 fewa =  94 1 fa + 852 0 mgwa                                                                                         14.100000000000000        1900.0000000000000       katsuraetal_04a (25) (14.26)                                                                                                       
 x863 0 fo + 208 1 fewa = 137 1 fa + 792 0 mgwa                                                                                         13.750000000000000        1900.0000000000000       katsuraetal_04a (25) (13.91)                                                                                                       
 x876 0 fo + 218 1 fewa = 124 1 fa + 782 0 mgwa                                                                                         12.619999999999999        1600.0000000000000       katsuraetal_04a (25) (12.78)                                                                                                       
 x979 0 fo +  53 1 fewa =  21 1 fa + 947 0 mgwa                                                                                         13.699999999999999        1600.0000000000000       katsuraetal_04a (25) (13.86)                                                                                                       
 x915 0 fo + 160 1 fewa =  85 1 fa + 840 0 mgwa                                                                                         12.930000000000000        1600.0000000000000       katsuraetal_04a (25) (13.09)                                                                                                       
 735 1 pe + 124 2 fewa =  265 1 wu + 876 2 mgwa                                                                                         14.500000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1434  531 735 1 pe + 124 2 fewa =  265 1 wu + 876 2 mgwa                                                                                          14.500    1673.0 frost_03b                               F
 578 1 pe + 188 2 fewa =  422 1 wu + 812 2 mgwa                                                                                         14.500000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1435  532 578 1 pe + 188 2 fewa =  422 1 wu + 812 2 mgwa                                                                                          14.500    1673.0 frost_03b                               F
 760 1 pe + 115 2 fewa =  240 1 wu + 885 2 mgwa                                                                                         14.500000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1436  533 760 1 pe + 115 2 fewa =  240 1 wu + 885 2 mgwa                                                                                          14.500    1673.0 frost_03b                               F
 x632 1 pe + 146 2 fewa =  368 1 wu + 854 2 mgwa                                                                                        14.500000000000000        1673.0000000000000        frost_03b                                                                                                                         
 808 1 pe +  94 2 fewa =  192 1 wu + 906 2 mgwa                                                                                         14.500000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1438  534 808 1 pe +  94 2 fewa =  192 1 wu + 906 2 mgwa                                                                                          14.500    1673.0 frost_03b                               F
 857 1 pe +  73 2 fewa =  143 1 wu + 927 2 mgwa                                                                                         14.500000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1439  535 857 1 pe +  73 2 fewa =  143 1 wu + 927 2 mgwa                                                                                          14.500    1673.0 frost_03b                               F
 839 1 pe +  80 2 fewa =  161 1 wu + 920 2 mgwa                                                                                         14.500000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1440  536 839 1 pe +  80 2 fewa =  161 1 wu + 920 2 mgwa                                                                                          14.500    1673.0 frost_03b                               F
 449 1 pe + 255 2 fewa =  551 1 wu + 745 2 mgwa                                                                                         14.000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1441  537 449 1 pe + 255 2 fewa =  551 1 wu + 745 2 mgwa                                                                                          14.000    1673.0 frost_03b                               F
 576 1 pe + 195 2 fewa =  424 1 wu + 805 2 mgwa                                                                                         14.000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1442  538 576 1 pe + 195 2 fewa =  424 1 wu + 805 2 mgwa                                                                                          14.000    1673.0 frost_03b                               F
 600 1 pe + 184 2 fewa =  400 1 wu + 816 2 mgwa                                                                                         14.000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1443  539 600 1 pe + 184 2 fewa =  400 1 wu + 816 2 mgwa                                                                                          14.000    1673.0 frost_03b                               F
 449 1 pe + 254 2 fewa =  551 1 wu + 746 2 mgwa                                                                                         14.000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1444  540 449 1 pe + 254 2 fewa =  551 1 wu + 746 2 mgwa                                                                                          14.000    1673.0 frost_03b                               F
 451 1 pe + 245 2 fewa =  549 1 wu + 755 2 mgwa                                                                                         14.000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1445  541 451 1 pe + 245 2 fewa =  549 1 wu + 755 2 mgwa                                                                                          14.000    1673.0 frost_03b                               F
 x710 1 pe + 126 2 fewa =  290 1 wu + 874 2 mgwa                                                                                        14.000000000000000        1673.0000000000000        frost_03b                                                                                                                         
 384 1 pe + 286 2 fewa =  616 1 wu + 714 2 mgwa                                                                                         13.199999999999999        1673.0000000000000       frost_03b                                                                                                                          
 1447  542 384 1 pe + 286 2 fewa =  616 1 wu + 714 2 mgwa                                                                                          13.200    1673.0 frost_03b                               F
 442 1 pe + 252 2 fewa =  558 1 wu + 748 2 mgwa                                                                                         13.199999999999999        1673.0000000000000       frost_03b                                                                                                                          
 1448  543 442 1 pe + 252 2 fewa =  558 1 wu + 748 2 mgwa                                                                                          13.200    1673.0 frost_03b                               F
 390 1 pe + 280 2 fewa =  610 1 wu + 720 2 mgwa                                                                                         13.000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1449  544 390 1 pe + 280 2 fewa =  610 1 wu + 720 2 mgwa                                                                                          13.000    1673.0 frost_03b                               F
 447 1 pe + 250 2 fewa =  553 1 wu + 750 2 mgwa                                                                                         13.000000000000000        1673.0000000000000       frost_03b                                                                                                                          
 1450  545 447 1 pe + 250 2 fewa =  553 1 wu + 750 2 mgwa                                                                                          13.000    1673.0 frost_03b                               F
 810 0 fo + 300 1 fewa =  190 1 fa + 700 0 mgwa                                                                                         12.869999999999999        1673.0000000000000       frost_03b                                                                                                                          
 1451  546 810 0 fo + 300 1 fewa =  190 1 fa + 700 0 mgwa                                                                                          12.870    1673.0 frost_03b                               F
 700 0 mgwa + 410 1 feri =  300 1 fewa + 590 0 mgri                                                                                     12.869999999999999        1673.0000000000000       frost_03b                                                                                                                          
 1452  547 700 0 mgwa + 410 1 feri =  300 1 fewa + 590 0 mgri                                                                                      12.870    1673.0 frost_03b                               F
 x88 4 mgpv + 80 1 wu = 12 4 fepv + 20 1 pe                                                                                             32.799999999999997        1500.0000000000000       maoetal_97                                                                                                                         
 x87 4 mgpv + 82 1 wu = 13 4 fepv + 18 1 pe                                                                                             41.799999999999997        1500.0000000000000       maoetal_97                                                                                                                         
 x82 4 mgpv + 84 1 wu = 18 4 fepv + 16 1 pe                                                                                             41.799999999999997        1500.0000000000000       maoetal_97                                                                                                                         
 x84 4 mgpv + 84 1 wu = 16 4 fepv + 16 1 pe                                                                                             47.899999999999999        1500.0000000000000       maoetal_97                                                                                                                         
 x79 4 mgpv + 86 1 wu = 21 4 fepv + 14 1 pe                                                                                             49.799999999999997        1500.0000000000000       maoetal_97                                                                                                                         
 x78 4 mgpv + 85 1 wu = 22 4 fepv + 15 1 pe                                                                                             54.000000000000000        1500.0000000000000       maoetal_97                                                                                                                         
 x84 4 mgpv + 78 1 wu = 16 4 fepv + 22 1 pe                                                                                             32.799999999999997        2000.0000000000000       maoetal_97                                                                                                                         
 x77 4 mgpv + 81 1 wu = 23 4 fepv + 19 1 pe                                                                                             36.000000000000000        2000.0000000000000       maoetal_97                                                                                                                         
 x78 4 mgpv + 80 1 wu = 22 4 fepv + 20 1 pe                                                                                             41.799999999999997        2000.0000000000000       maoetal_97                                                                                                                         
 x76 4 mgpv + 83 1 wu = 24 4 fepv + 17 1 pe                                                                                             41.799999999999997        2000.0000000000000       maoetal_97                                                                                                                         
 x74 4 mgpv + 83 1 wu = 26 4 fepv + 17 1 pe                                                                                             47.899999999999999        2000.0000000000000       maoetal_97                                                                                                                         
 x72 4 mgpv + 83 1 wu = 28 4 fepv + 17 1 pe                                                                                             49.799999999999997        2000.0000000000000       maoetal_97                                                                                                                         
 x74 4 mgpv + 83 1 wu = 26 4 fepv + 17 1 pe                                                                                             54.000000000000000        2000.0000000000000       maoetal_97                                                                                                                         
 x94 4 mgpv + 14 1 wu =  6 4 fepv + 86 1 pe                                                                                             100.00000000000000        2000.0000000000000       kessonetal_02 (19)                                                                                                                 
 x94 4 mgpv + 17 1 wu =  6 4 fepv + 83 1 pe                                                                                             26.000000000000000        1573.0000000000000       martinezetal_97                                                                                                                    
 x96 4 mgpv + 14 1 wu =  4 4 fepv + 86 1 pe                                                                                             26.000000000000000        1873.0000000000000       martinezetal_97                                                                                                                    
 x95 4 mgpv + 17 1 wu =  5 4 fepv + 83 1 pe                                                                                             26.000000000000000        1873.0000000000000       martinezetal_97                                                                                                                    
 x94 4 mgpv + 17 1 wu =  6 4 fepv + 83 1 pe                                                                                             26.000000000000000        1573.0000000000000       martinezetal_97                                                                                                                    
 x96 4 mgpv + 14 1 wu =  4 4 fepv + 86 1 pe                                                                                             26.000000000000000        1573.0000000000000       martinezetal_97                                                                                                                    
 x954 4 mgpv + 139 1 wu =  46 4 fepv + 861 1 pe                                                                                         36.000000000000000        2000.0000000000000       sinmyoetal_08 OL36                                                                                                                 
 x969 4 mgpv + 169 1 wu =  31 4 fepv + 831 1 pe                                                                                         61.000000000000000        1760.0000000000000       sinmyoetal_08 OL61                                                                                                                 
 x965 4 mgpv + 157 1 wu =  35 4 fepv + 843 1 pe                                                                                         70.500000000000000        2140.0000000000000       sinmyoetal_08 OL71                                                                                                                 
 x957 4 mgpv + 132 1 wu =  43 4 fepv + 868 1 pe                                                                                         98.500000000000000        2170.0000000000000       sinmyoetal_08 OL99                                                                                                                 
 x961 4 mgpv + 137 1 wu =  39 4 fepv + 863 1 pe                                                                                         107.70000000000000        2130.0000000000000       sinmyoetal_08 OL108                                                                                                                
 x960 4 mgpv + 160 1 wu =  40 4 fepv + 840 1 pe                                                                                         43.000000000000000        2090.0000000000000       sakaietal_09 SC44                                                                                                                  
 x970 4 mgpv + 120 1 wu =  30 4 fepv + 880 1 pe                                                                                         65.000000000000000        2030.0000000000000       sakaietal_09 SC43                                                                                                                  
 x960 4 mgpv + 150 1 wu =  40 4 fepv + 850 1 pe                                                                                         68.000000000000000        2000.0000000000000       sakaietal_09 SCFe2                                                                                                                 
 x960 4 mgpv + 170 1 wu =  40 4 fepv + 830 1 pe                                                                                         70.000000000000000        1860.0000000000000       sakaietal_09 SC42                                                                                                                  
 x960 4 mgpv + 150 1 wu =  40 4 fepv + 850 1 pe                                                                                         73.000000000000000        2000.0000000000000       sakaietal_09 SC40                                                                                                                  
 x980 4 mgpv + 110 1 wu =  20 4 fepv + 890 1 pe                                                                                         82.000000000000000        2100.0000000000000       sakaietal_09 SCFe5                                                                                                                 
 x960 4 mgpv + 190 1 wu =  40 4 fepv + 810 1 pe                                                                                         86.000000000000000        2120.0000000000000       sakaietal_09 SC39                                                                                                                  
 x970 4 mgpv + 280 1 wu =  30 4 fepv + 720 1 pe                                                                                         99.000000000000000        2070.0000000000000       sakaietal_09 SC45                                                                                                                  
 x890 4 mgpv + 323 1 wu = 110 4 fepv + 677 1 pe                                                                                         25.000000000000000        2450.0000000000000       nakajimaetal_12 S4797                                                                                                              
 x839 4 mgpv + 487 1 wu = 161 4 fepv + 513 1 pe                                                                                         25.000000000000000        2500.0000000000000       nakajimaetal_12 S4882                                                                                                              
 x929 4 mgpv + 235 1 wu =  71 4 fepv + 765 1 pe                                                                                         25.000000000000000        2430.0000000000000       nakajimaetal_12 S4434                                                                                                              
 x930 4 mgpv + 191 1 wu =  70 4 fepv + 809 1 pe                                                                                         25.000000000000000        2500.0000000000000       nakajimaetal_12 S4527                                                                                                              
 x936 4 mgpv + 188 1 wu =  64 4 fepv + 812 1 pe                                                                                         25.000000000000000        2550.0000000000000       nakajimaetal_12 S4796                                                                                                              
 x927 4 mgpv + 210 1 wu =  73 4 fepv + 790 1 pe                                                                                         25.000000000000000        2573.0000000000000       nakajimaetal_12 S4441                                                                                                              
 x939 4 mgpv + 177 1 wu =  61 4 fepv + 823 1 pe                                                                                         25.000000000000000        2400.0000000000000       nakajimaetal_12 S4510                                                                                                              
 x953 4 mgpv + 119 1 wu =  47 4 fepv + 881 1 pe                                                                                         25.000000000000000        2590.0000000000000       nakajimaetal_12 S4545                                                                                                              
 x942 4 mgpv + 147 1 wu =  58 4 fepv + 853 1 pe                                                                                         25.000000000000000        2600.0000000000000       nakajimaetal_12 S4516                                                                                                              
 x956 4 mgpv + 122 1 wu =  44 4 fepv + 878 1 pe                                                                                         25.000000000000000        2600.0000000000000       nakajimaetal_12 S4555                                                                                                              
 x898 4 mgpv + 323 1 wu =  93 4 fepv + 677 1 pe + 9 0 hepv                                                                              25.000000000000000        2450.0000000000000       nakajimaetal_12 S4797                                                                                                              
 x850 4 mgpv + 487 1 wu = 137 4 fepv + 513 1 pe + 13 0 hepv                                                                             25.000000000000000        2500.0000000000000       nakajimaetal_12 S4882                                                                                                              
 x934 4 mgpv + 235 1 wu =  60 4 fepv + 765 1 pe + 6 0 hepv                                                                              25.000000000000000        2430.0000000000000       nakajimaetal_12 S4434                                                                                                              
 x935 4 mgpv + 191 1 wu =  60 4 fepv + 809 1 pe + 5 0 hepv                                                                              25.000000000000000        2500.0000000000000       nakajimaetal_12 S4527                                                                                                              
 x940 4 mgpv + 188 1 wu =  55 4 fepv + 812 1 pe + 5 0 hepv                                                                              25.000000000000000        2550.0000000000000       nakajimaetal_12 S4796                                                                                                              
 x932 4 mgpv + 210 1 wu =  62 4 fepv + 790 1 pe + 6 0 hepv                                                                              25.000000000000000        2573.0000000000000       nakajimaetal_12 S4441                                                                                                              
 x943 4 mgpv + 177 1 wu =  52 4 fepv + 823 1 pe + 5 0 hepv                                                                              25.000000000000000        2400.0000000000000       nakajimaetal_12 S4510                                                                                                              
 x956 4 mgpv + 119 1 wu =  41 4 fepv + 881 1 pe + 3 0 hepv                                                                              25.000000000000000        2590.0000000000000       nakajimaetal_12 S4545                                                                                                              
 x946 4 mgpv + 147 1 wu =  50 4 fepv + 853 1 pe + 4 0 hepv                                                                              25.000000000000000        2600.0000000000000       nakajimaetal_12 S4516                                                                                                              
 x959 4 mgpv + 122 1 wu =  38 4 fepv + 878 1 pe + 3 0 hepv                                                                              25.000000000000000        2600.0000000000000       nakajimaetal_12 S4555                                                                                                              
 x958 4 mgpv + 112 1 wu =  40 4 fepv + 888 1 pe + 2 0 hepv                                                                              25.000000000000000        1923.0000000000000       frostlangenhorst_02 H1495a AB                                                                                                      
 x908 4 mgpv + 339 1 wu =  80 4 fepv + 661 1 pe + 12 0 hepv                                                                             25.000000000000000        1923.0000000000000       frostlangenhorst_02 H1495a B                                                                                                       
 x933 4 mgpv + 164 1 wu =  64 4 fepv + 836 1 pe + 3 0 hepv                                                                              25.000000000000000        1923.0000000000000       frostlangenhorst_02 H1495a A                                                                                                       
 x860 4 mgpv + 502 1 wu = 120 4 fepv + 498 1 pe + 20 0 hepv                                                                             25.000000000000000        1923.0000000000000       frostlangenhorst_02 H1495a D                                                                                                       
 951 4 mgpv + 151 1 wu =  49 4 fepv + 849 1 pe                                                                                          25.000000000000000        2000.0000000000000      nakajimaetal_12 Star in Figure 5                                                                                                    
 1509  548 951 4 mgpv + 151 1 wu =  49 4 fepv + 849 1 pe                                                                                           25.000    2000.0 nakajimaetal_12                         F
 931 4 mgpv + 196 1 wu =  69 4 fepv + 804 1 pe                                                                                          25.000000000000000        2541.0000000000000      nakajimaetal_12 mean of S4527,S4796,S444                                                                                            
 1510  549 931 4 mgpv + 196 1 wu =  69 4 fepv + 804 1 pe                                                                                           25.000    2541.0 nakajimaetal_12                         F
 x950 4 mgpv + 149 1 wu =  50 4 fepv + 851 1 pe                                                                                         25.000000000000000        2541.0000000000000       nakajimaetal_12 mean of S4527,S4796,S44                                                                                            
 x956 4 mgpv + 151 1 wu =  44 4 fepv + 849 1 pe                                                                                         25.000000000000000        2000.0000000000000       nakajimaetal_12 Star in Figure 5 correc                                                                                            
 x955 4 mgpv + 149 1 wu =  45 4 fepv + 851 1 pe                                                                                         25.000000000000000        2541.0000000000000       nakajimaetal_12 mean of S4527,S4796,S44                                                                                            
 x955 4 mgpv + 130 1 wu =  45 4 fepv + 870 1 pe                                                                                         23.000000000000000        1900.0000000000000       katsuraito_96                                                                                                                      
 x896 4 mgpv + 311 1 wu = 104 4 fepv + 689 1 pe                                                                                         23.000000000000000        1900.0000000000000       katsuraito_96                                                                                                                      
 x956 4 mgpv + 136 1 wu =  44 4 fepv + 864 1 pe                                                                                         23.000000000000000        1900.0000000000000       katsuraito_96                                                                                                                      
 x943 4 mgpv + 139 1 wu =  57 4 fepv + 861 1 pe                                                                                         23.000000000000000        1900.0000000000000       katsuraito_96                                                                                                                      
 x947 4 mgpv + 137 1 wu =  53 4 fepv + 863 1 pe                                                                                         23.000000000000000        1900.0000000000000       katsuraito_96                                                                                                                      
 x862 4 mgpv + 498 1 wu = 138 4 fepv + 502 1 pe                                                                                         23.000000000000000        1900.0000000000000       katsuraito_96                                                                                                                      
 x95 4 mgpv +  35 1 wu = 5 4 fepv + 65 1 pe                                                                                             25.000000000000000        1373.0000000000000       itotakahashi_89 (9) (93,7,55,45) (95,5,                                                                                            
 x95 4 mgpv +  35 1 wu = 5 4 fepv + 65 1 pe                                                                                             25.500000000000000        1373.0000000000000       itotakahashi_89 (9) (94,6,56,44) (95,5,                                                                                            
 x93 4 mgpv +  53 1 wu = 7 4 fepv + 47 1 pe                                                                                             24.000000000000000        1873.0000000000000       itotakahashi_89 (9) (93,7,44,56) (93,7,                                                                                            
 x97 4 mgpv +  17 1 wu = 3 4 fepv + 83 1 pe                                                                                             25.000000000000000        1873.0000000000000       itotakahashi_89 (9) (97,3,83,17) (97,3,                                                                                            
 x94 4 mgpv +  34 1 wu = 6 4 fepv + 66 1 pe                                                                                             25.000000000000000        1873.0000000000000       itotakahashi_89 (9) (93,7,66,34) (94,6,                                                                                            
 x92 4 mgpv +  52 1 wu = 8 4 fepv + 48 1 pe                                                                                             25.000000000000000        1873.0000000000000       itotakahashi_89 (9) (92,8,45,55) (92,8,                                                                                            
 x948 4 mgpv + 130 1 wu = 52 4 fepv + 870 1 pe                                                                                          25.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x934 4 mgpv + 124 1 wu = 66 4 fepv + 876 1 pe                                                                                          25.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x946 4 mgpv + 129 1 wu = 54 4 fepv + 871 1 pe                                                                                          25.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x926 4 mgpv + 234 1 wu = 74 4 fepv + 766 1 pe                                                                                          30.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x926 4 mgpv + 231 1 wu = 74 4 fepv + 769 1 pe                                                                                          30.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x943 4 mgpv + 273 1 wu = 57 4 fepv + 727 1 pe                                                                                          30.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x943 4 mgpv + 231 1 wu = 57 4 fepv + 769 1 pe                                                                                          30.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x952 4 mgpv + 215 1 wu = 48 4 fepv + 785 1 pe                                                                                          30.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x952 4 mgpv + 218 1 wu = 48 4 fepv + 782 1 pe                                                                                          30.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x952 4 mgpv + 201 1 wu = 48 4 fepv + 799 1 pe                                                                                          30.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x967 4 mgpv + 125 1 wu = 33 4 fepv + 875 1 pe                                                                                          35.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x953 4 mgpv + 116 1 wu = 47 4 fepv + 884 1 pe                                                                                          35.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x933 4 mgpv + 132 1 wu = 67 4 fepv + 868 1 pe                                                                                          35.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x930 4 mgpv + 110 1 wu = 70 4 fepv + 890 1 pe                                                                                          35.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x944 4 mgpv + 111 1 wu = 56 4 fepv + 889 1 pe                                                                                          35.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x944 4 mgpv + 121 1 wu = 56 4 fepv + 879 1 pe                                                                                          35.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x952 4 mgpv + 134 1 wu = 48 4 fepv + 866 1 pe                                                                                          40.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x948 4 mgpv + 134 1 wu = 52 4 fepv + 866 1 pe                                                                                          40.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x959 4 mgpv + 134 1 wu = 41 4 fepv + 866 1 pe                                                                                          40.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x957 4 mgpv + 128 1 wu = 43 4 fepv + 872 1 pe                                                                                          50.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x909 4 mgpv + 154 1 wu = 91 4 fepv + 846 1 pe                                                                                          50.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x912 4 mgpv + 154 1 wu = 88 4 fepv + 846 1 pe                                                                                          50.000000000000000        1900.0000000000000       kessonfitzgerald_01 (18)                                                                                                           
 x94 4 mgpv + 28 1 wu = 6 4 fepv + 72 1 pe                                                                                              25.000000000000000        1900.0000000000000       guyotetal_88 (18)                                                                                                                  
 x92 4 mgpv + 26 1 wu = 8 4 fepv + 74 1 pe                                                                                              30.000000000000000        1900.0000000000000       guyotetal_88 (18)                                                                                                                  
 x91 4 mgpv + 25 1 wu = 9 4 fepv + 75 1 pe                                                                                              40.000000000000000        1900.0000000000000       guyotetal_88 (18)                                                                                                                  
 x91 4 mgpv + 25 1 wu = 9 4 fepv + 75 1 pe                                                                                              50.000000000000000        1900.0000000000000       guyotetal_88 (18)                                                                                                                  
 x91 4 mgpv + 25 1 wu = 9 4 fepv + 75 1 pe                                                                                              75.000000000000000        1900.0000000000000       guyotetal_88 (18)                                                                                                                  
 x93 2 mgil +  6 1 feri =  7 2 feil + 94 1 mgri                                                                                         22.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x89 2 mgil + 13 1 feri = 11 2 feil + 87 1 mgri                                                                                         24.000000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x85 2 mgil + 13 1 feri = 15 2 feil + 87 1 mgri                                                                                         25.500000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 x85 1 mgil +  7 1 fepv = 15 1 feil + 93 1 mgpv                                                                                         25.500000000000000        1373.0000000000000       itoyamada_82                                                                                                                       
 90 1 mgil + 10 1 fepv = 10 1 feil + 90 1 mgpv                                                                                          25.500000000000000        1373.0000000000000      itoyamada_82 (26)                                                                                                                   
 1557  550 90 1 mgil + 10 1 fepv = 10 1 feil + 90 1 mgpv                                                                                           25.500    1373.0 itoyamada_82                            F
 90 1 mgil + 10 1 fepv = 10 1 feil + 90 1 mgpv                                                                                          24.000000000000000        2073.0000000000000      ohtanietal_91 (26)                                                                                                                  
 1558  551 90 1 mgil + 10 1 fepv = 10 1 feil + 90 1 mgpv                                                                                           24.000    2073.0 ohtanietal_91                           F
 92 2 fo +  9 1 hc =  8 2 fa + 91 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1559  552 92 2 fo +  9 1 hc =  8 2 fa + 91 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 86 2 fo + 16 1 hc = 14 2 fa + 84 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1560  553 86 2 fo + 16 1 hc = 14 2 fa + 84 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 81 2 fo + 20 1 hc = 19 2 fa + 80 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1561  554 81 2 fo + 20 1 hc = 19 2 fa + 80 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 72 2 fo + 29 1 hc = 28 2 fa + 71 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1562  555 72 2 fo + 29 1 hc = 28 2 fa + 71 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 72 2 fo + 29 1 hc = 28 2 fa + 71 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1563  556 72 2 fo + 29 1 hc = 28 2 fa + 71 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 63 2 fo + 38 1 hc = 37 2 fa + 62 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1564  557 63 2 fo + 38 1 hc = 37 2 fa + 62 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 60 2 fo + 41 1 hc = 40 2 fa + 59 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1565  558 60 2 fo + 41 1 hc = 40 2 fa + 59 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 53 2 fo + 46 1 hc = 47 2 fa + 54 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1566  559 53 2 fo + 46 1 hc = 47 2 fa + 54 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 52 2 fo + 47 1 hc = 48 2 fa + 53 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1567  560 52 2 fo + 47 1 hc = 48 2 fa + 53 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 53 2 fo + 47 1 hc = 47 2 fa + 53 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1568  561 53 2 fo + 47 1 hc = 47 2 fa + 53 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 52 2 fo + 48 1 hc = 48 2 fa + 52 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1569  562 52 2 fo + 48 1 hc = 48 2 fa + 52 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 52 2 fo + 49 1 hc = 48 2 fa + 51 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1570  563 52 2 fo + 49 1 hc = 48 2 fa + 51 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 46 2 fo + 52 1 hc = 54 2 fa + 48 1 sp                                                                                                  0.0000000000000000        1573.0000000000000      jamiesonroeder_84                                                                                                                   
 1571  564 46 2 fo + 52 1 hc = 54 2 fa + 48 1 sp                                                                                                    0.000    1573.0 jamiesonroeder_84                       F
 x79 1 co + 21 0 mgil =  8 1 alpv + 92 0 mgpv                                                                                           27.300000000000001        1673.0000000000000       kuboakaogi_00                                                                                                                      
 x69 1 co + 31 0 mgil = 14 1 alpv + 86 0 mgpv                                                                                           27.300000000000001        2073.0000000000000       kuboakaogi_00                                                                                                                      
 x69 1 co + 31 0 mgil = 13 1 alpv + 87 0 mgpv                                                                                           27.199999999999999        2173.0000000000000       kuboakaogi_00                                                                                                                      
 x77 1 co + 23 0 mgil = 10 1 alpv + 90 0 mgpv                                                                                           26.699999999999999        1873.0000000000000       kuboakaogi_00                                                                                                                      
 x88 1 fo +   25 1 fewa = 12 1 fa +   75 1 mgwa                                                                                         12.000000000000000        1473.0000000000000       katsuraito_89 (10)                                                                                                                 
 x75 1 mgwa + 38 1 feri = 25 1 fewa + 62 1 mgri                                                                                         12.000000000000000        1473.0000000000000       katsuraito_89 (10)                                                                                                                 
 x84 1 fo +   28 1 fewa = 16 1 fa +   72 1 mgwa                                                                                         13.000000000000000        1873.0000000000000       katsuraito_89 (10)                                                                                                                 
 x72 1 mgwa + 39 1 feri = 28 1 fewa + 61 1 mgri                                                                                         13.000000000000000        1873.0000000000000       katsuraito_89 (10)                                                                                                                 
 12  0 mgts + 88 6 en + 100 4 co = 100 4 py                                                                                             1.6499999999999999        1123.0000000000000      gaspariknewton_84                                                                                                                   
 1580  565 12  0 mgts + 88 6 en + 100 4 co = 100 4 py                                                                                               1.650    1123.0 gaspariknewton_84                       F
 71  1 mgts + 929 1 en = 1000 1 py                                                                                                      2.1650000000000000        1173.0000000000000      perkinsetal_81                                                                                                                      
 1581  566 71  1 mgts + 929 1 en = 1000 1 py                                                                                                        2.165    1173.0 perkinsetal_81                          F
 69  1 mgts + 931 1 en = 1000 1 py                                                                                                      2.4100000000000001        1173.0000000000000      perkinsetal_81                                                                                                                      
 1582  567 69  1 mgts + 931 1 en = 1000 1 py                                                                                                        2.410    1173.0 perkinsetal_81                          F
 60  1 mgts + 940 1 en = 1000 1 py                                                                                                      2.5899999999999999        1173.0000000000000      perkinsetal_81                                                                                                                      
 1583  568 60  1 mgts + 940 1 en = 1000 1 py                                                                                                        2.590    1173.0 perkinsetal_81                          F
 38  1 mgts + 962 1 en = 1000 1 py                                                                                                      2.7949999999999999        1173.0000000000000      perkinsetal_81                                                                                                                      
 1584  569 38  1 mgts + 962 1 en = 1000 1 py                                                                                                        2.795    1173.0 perkinsetal_81                          F
 31  1 mgts + 969 1 en = 1000 1 py                                                                                                      3.0000000000000000        1173.0000000000000      perkinsetal_81                                                                                                                      
 1585  570 31  1 mgts + 969 1 en = 1000 1 py                                                                                                        3.000    1173.0 perkinsetal_81                          F
 145 1 mgts + 855 1 en = 1000 1 py                                                                                                      2.0699999999999998        1373.0000000000000      perkinsetal_81                                                                                                                      
 1586  571 145 1 mgts + 855 1 en = 1000 1 py                                                                                                        2.070    1373.0 perkinsetal_81                          F
 140 1 mgts + 860 1 en = 1000 1 py                                                                                                      2.1530000000000000        1373.0000000000000      perkinsetal_81                                                                                                                      
 1587  572 140 1 mgts + 860 1 en = 1000 1 py                                                                                                        2.153    1373.0 perkinsetal_81                          F
 105 1 mgts + 895 1 en = 1000 1 py                                                                                                      2.3050000000000002        1373.0000000000000      perkinsetal_81                                                                                                                      
 1588  573 105 1 mgts + 895 1 en = 1000 1 py                                                                                                        2.305    1373.0 perkinsetal_81                          F
 100 1 mgts + 900 1 en = 1000 1 py                                                                                                      2.3999999999999999        1373.0000000000000      perkinsetal_81                                                                                                                      
 1589  574 100 1 mgts + 900 1 en = 1000 1 py                                                                                                        2.400    1373.0 perkinsetal_81                          F
 100 1 mgts + 900 1 en = 1000 1 py                                                                                                      2.5000000000000000        1373.0000000000000      perkinsetal_81                                                                                                                      
 1590  575 100 1 mgts + 900 1 en = 1000 1 py                                                                                                        2.500    1373.0 perkinsetal_81                          F
 88  1 mgts + 912 1 en = 1000 1 py                                                                                                      2.6250000000000000        1373.0000000000000      perkinsetal_81                                                                                                                      
 1591  576 88  1 mgts + 912 1 en = 1000 1 py                                                                                                        2.625    1373.0 perkinsetal_81                          F
 65  1 mgts + 935 1 en = 1000 1 py                                                                                                      2.8100000000000001        1373.0000000000000      perkinsetal_81                                                                                                                      
 1592  577 65  1 mgts + 935 1 en = 1000 1 py                                                                                                        2.810    1373.0 perkinsetal_81                          F
 65  1 mgts + 935 1 en = 1000 1 py                                                                                                      3.0000000000000000        1373.0000000000000      perkinsetal_81                                                                                                                      
 1593  578 65  1 mgts + 935 1 en = 1000 1 py                                                                                                        3.000    1373.0 perkinsetal_81                          F
 56  1 mgts + 944 1 en = 1000 1 py                                                                                                      3.1400000000000001        1373.0000000000000      perkinsetal_81                                                                                                                      
 1594  579 56  1 mgts + 944 1 en = 1000 1 py                                                                                                        3.140    1373.0 perkinsetal_81                          F
 42  1 mgts + 958 1 en = 1000 1 py                                                                                                      3.4900000000000002        1373.0000000000000      perkinsetal_81                                                                                                                      
 1595  580 42  1 mgts + 958 1 en = 1000 1 py                                                                                                        3.490    1373.0 perkinsetal_81                          F
 32  1 mgts + 968 1 en = 1000 1 py                                                                                                      3.9900000000000002        1373.0000000000000      perkinsetal_81                                                                                                                      
 1596  581 32  1 mgts + 968 1 en = 1000 1 py                                                                                                        3.990    1373.0 perkinsetal_81                          F
 191 1 mgts + 809 1 en = 1000 1 py                                                                                                      2.2770000000000001        1573.0000000000000      perkinsetal_81                                                                                                                      
 1597  582 191 1 mgts + 809 1 en = 1000 1 py                                                                                                        2.277    1573.0 perkinsetal_81                          F
 128 1 mgts + 872 1 en = 1000 1 py                                                                                                      2.7140000000000000        1573.0000000000000      perkinsetal_81                                                                                                                      
 1598  583 128 1 mgts + 872 1 en = 1000 1 py                                                                                                        2.714    1573.0 perkinsetal_81                          F
 95  1 mgts + 905 1 en = 1000 1 py                                                                                                      3.3050000000000002        1573.0000000000000      perkinsetal_81                                                                                                                      
 1599  584 95  1 mgts + 905 1 en = 1000 1 py                                                                                                        3.305    1573.0 perkinsetal_81                          F
 78  1 mgts + 922 1 en = 1000 1 py                                                                                                      3.6730000000000000        1573.0000000000000      perkinsetal_81                                                                                                                      
 1600  585 78  1 mgts + 922 1 en = 1000 1 py                                                                                                        3.673    1573.0 perkinsetal_81                          F
 62  1 mgts + 938 1 en = 1000 1 py                                                                                                      4.0149999999999997        1573.0000000000000      perkinsetal_81                                                                                                                      
 1601  586 62  1 mgts + 938 1 en = 1000 1 py                                                                                                        4.015    1573.0 perkinsetal_81                          F
 185 1 mgts + 815 1 en = 1000 1 py                                                                                                      2.8310000000000000        1773.0000000000000      perkinsetal_81                                                                                                                      
 1602  587 185 1 mgts + 815 1 en = 1000 1 py                                                                                                        2.831    1773.0 perkinsetal_81                          F
 118 1 mgts + 882 1 en = 1000 1 py                                                                                                      3.5360000000000000        1773.0000000000000      perkinsetal_81                                                                                                                      
 1603  588 118 1 mgts + 882 1 en = 1000 1 py                                                                                                        3.536    1773.0 perkinsetal_81                          F
 x86 8 en + 14 0 mgts + 2 1 sp = 4 4 py + 4 4 fo                                                                                        2.0000000000000000        1353.0000000000000       danckwerthnewton_78                                                                                                                
 x88 8 en + 12 0 mgts + 2 1 sp = 4 4 py + 4 4 fo                                                                                        2.0000000000000000        1273.0000000000000       danckwerthnewton_78                                                                                                                
 x89 8 en + 11 0 mgts + 2 1 sp = 4 4 py + 4 4 fo                                                                                        2.0000000000000000        1223.0000000000000       danckwerthnewton_78                                                                                                                
 x87 8 en + 13 0 mgts + 2 1 sp = 4 4 py + 4 4 fo                                                                                        2.0000000000000000        1373.0000000000000       fujii_76                                                                                                                           
 x83 8 en + 17 0 mgts + 2 1 sp = 4 4 py + 4 4 fo                                                                                        2.1499999999999999        1473.0000000000000       fujii_76                                                                                                                           
 x81 8 en + 19 0 mgts + 2 1 sp = 4 4 py + 4 4 fo                                                                                        2.3999999999999999        1573.0000000000000       fujii_76                                                                                                                           
 x78 8 en + 22 0 mgts + 2 1 sp = 4 4 py + 4 4 fo                                                                                        2.5000000000000000        1673.0000000000000       fujii_76                                                                                                                           
 789 4 en + 100 1 sp = 211 4 mgts + 100 4 fo                                                                                            1.3799999999999999        1773.0000000000000      gaspariknewton_84                                                                                                                   
 1611  589 789 4 en + 100 1 sp = 211 4 mgts + 100 4 fo                                                                                              1.380    1773.0 gaspariknewton_84                       F
 794 4 en + 100 1 sp = 206 4 mgts + 100 4 fo                                                                                            1.7700000000000000        1773.0000000000000      gaspariknewton_84                                                                                                                   
 1612  590 794 4 en + 100 1 sp = 206 4 mgts + 100 4 fo                                                                                              1.770    1773.0 gaspariknewton_84                       F
 791 4 en + 100 1 sp = 209 4 mgts + 100 4 fo                                                                                            2.1699999999999999        1773.0000000000000      gaspariknewton_84                                                                                                                   
 1613  591 791 4 en + 100 1 sp = 209 4 mgts + 100 4 fo                                                                                              2.170    1773.0 gaspariknewton_84                       F
 797 4 en + 100 1 sp = 203 4 mgts + 100 4 fo                                                                                            2.5600000000000001        1773.0000000000000      gaspariknewton_84                                                                                                                   
 1614  592 797 4 en + 100 1 sp = 203 4 mgts + 100 4 fo                                                                                              2.560    1773.0 gaspariknewton_84                       F
 820 4 en + 100 1 sp = 180 4 mgts + 100 4 fo                                                                                           0.98999999999999999        1573.0000000000000      gaspariknewton_84                                                                                                                   
 1615  593 820 4 en + 100 1 sp = 180 4 mgts + 100 4 fo                                                                                              0.990    1573.0 gaspariknewton_84                       F
 824 4 en + 100 1 sp = 176 4 mgts + 100 4 fo                                                                                            1.3700000000000001        1573.0000000000000      gaspariknewton_84                                                                                                                   
 1616  594 824 4 en + 100 1 sp = 176 4 mgts + 100 4 fo                                                                                              1.370    1573.0 gaspariknewton_84                       F
 x926 4 en + 100 1 sp =  74 4 mgts + 100 4 fo                                                                                          0.29999999999999999        1173.0000000000000       anastasiouseifert_72                                                                                                               
 x874 4 en + 100 1 sp = 126 4 mgts + 100 4 fo                                                                                          0.29999999999999999        1273.0000000000000       anastasiouseifert_72                                                                                                               
 x824 4 en + 100 1 sp = 176 4 mgts + 100 4 fo                                                                                          0.29999999999999999        1373.0000000000000       anastasiouseifert_72                                                                                                               
 x890 4 en + 100 1 sp = 110 4 mgts + 100 4 fo                                                                                           2.0000000000000000        1223.0000000000000       danckwerthnewton_78                                                                                                                
 x876 4 en + 100 1 sp = 124 4 mgts + 100 4 fo                                                                                           2.0000000000000000        1273.0000000000000       danckwerthnewton_78                                                                                                                
 x856 4 en + 100 1 sp = 144 4 mgts + 100 4 fo                                                                                           2.0000000000000000        1348.0000000000000       danckwerthnewton_78                                                                                                                
 x870 4 en + 100 1 sp = 130 4 mgts + 100 4 fo                                                                                           2.0000000000000000        1373.0000000000000       fujii_76                                                                                                                           
 x822 4 en + 100 1 sp = 178 4 mgts + 100 4 fo                                                                                           1.5000000000000000        1473.0000000000000       fujii_76                                                                                                                           
 x832 4 en + 100 1 sp = 168 4 mgts + 100 4 fo                                                                                           2.0000000000000000        1473.0000000000000       fujii_76                                                                                                                           
 x828 4 en + 100 1 sp = 172 4 mgts + 100 4 fo                                                                                           2.2999999999999998        1473.0000000000000       fujii_76                                                                                                                           
 x784 4 en + 100 1 sp = 216 4 mgts + 100 4 fo                                                                                           1.5000000000000000        1573.0000000000000       fujii_76                                                                                                                           
 x786 4 en + 100 1 sp = 214 4 mgts + 100 4 fo                                                                                           2.0000000000000000        1573.0000000000000       fujii_76                                                                                                                           
 x808 4 en + 100 1 sp = 192 4 mgts + 100 4 fo                                                                                           2.3999999999999999        1573.0000000000000       fujii_76                                                                                                                           
 x752 4 en + 100 1 sp = 248 4 mgts + 100 4 fo                                                                                           1.5000000000000000        1673.0000000000000       fujii_76                                                                                                                           
 x776 4 en + 100 1 sp = 224 4 mgts + 100 4 fo                                                                                           2.5000000000000000        1673.0000000000000       fujii_76                                                                                                                           
 x171 1 mgts + 829 1 di = 171 1 cats + 829 1 en                                                                                         1.0200000000000000        1573.0000000000000       gasparik_84 (14)                                                                                                                   
 x172 1 mgts + 833 1 di = 167 1 cats + 828 1 en                                                                                         1.2100000000000000        1573.0000000000000       gasparik_84 (14)                                                                                                                   
 x172 1 mgts + 833 1 di = 167 1 cats + 828 1 en                                                                                         1.3999999999999999        1573.0000000000000       gasparik_84 (14)                                                                                                                   
 x170 1 mgts + 577 1 di + 255 0 cen = 168 1 cats + 762 1 en +  68 0 odi                                                                 1.5800000000000001        1573.0000000000000       gasparik_84 (14)                                                                                                                   
 x170 0 mgts + 577 0 di + 255 1 cen = 168 0 cats + 762 1 en +  68 0 odi                                                                 1.5800000000000001        1573.0000000000000       gasparik_84 (14)                                                                                                                   
 x170 0 mgts + 577 1 di + 255 0 cen = 168 0 cats + 762 0 en +  68 1 odi                                                                 1.5800000000000001        1573.0000000000000       gasparik_84 (14)                                                                                                                   
 x160 1 mgts + 839 1 di = 161 1 cats + 840 1 en                                                                                         1.7700000000000000        1573.0000000000000       gasparik_84 (14)                                                                                                                   
 x164 1 mgts + 843 1 di = 157 1 cats + 836 1 en                                                                                         1.9500000000000000        1573.0000000000000       gasparik_84 (14)                                                                                                                   
 194 1 mgts + 358 1 di + 444 0 cen = 198 1 cats + 742 1 en +  64 0 odi                                                                  2.7000000000000002        1773.0000000000000      klemmeo'Neill_00                                                                                                                    
 1640  595 194 1 mgts + 358 1 di + 444 0 cen = 198 1 cats + 742 1 en +  64 0 odi                                                                    2.700    1773.0 klemmeo'Neill_00                        F
 194 0 mgts + 358 0 di + 444 1 cen = 198 0 cats + 742 1 en +  64 0 odi                                                                  2.7000000000000002        1773.0000000000000      klemmeo'Neill_00                                                                                                                    
 1641  596 194 0 mgts + 358 0 di + 444 1 cen = 198 0 cats + 742 1 en +  64 0 odi                                                                    2.700    1773.0 klemmeo'Neill_00                        F
 194 0 mgts + 358 1 di + 444 0 cen = 198 0 cats + 742 0 en +  64 1 odi                                                                  2.7000000000000002        1773.0000000000000      klemmeo'Neill_00                                                                                                                    
 1642  597 194 0 mgts + 358 1 di + 444 0 cen = 198 0 cats + 742 0 en +  64 1 odi                                                                    2.700    1773.0 klemmeo'Neill_00                        F
 29 1 mgts + 918 1 di +  59 0 cen  =  23 1 cats + 955 1 en +  16 0 odi                                                                  2.5000000000000000        1173.0000000000000      perkinsnewton_80                                                                                                                    
 1643  598 29 1 mgts + 918 1 di +  59 0 cen  =  23 1 cats + 955 1 en +  16 0 odi                                                                    2.500    1173.0 perkinsnewton_80                        F
 29 0 mgts + 918 0 di +  59 1 cen  =  23 0 cats + 955 1 en +  16 0 odi                                                                  2.5000000000000000        1173.0000000000000      perkinsnewton_80                                                                                                                    
 1644  599 29 0 mgts + 918 0 di +  59 1 cen  =  23 0 cats + 955 1 en +  16 0 odi                                                                    2.500    1173.0 perkinsnewton_80                        F
 29 0 mgts + 918 1 di +  59 0 cen  =  23 0 cats + 955 0 en +  16 1 odi                                                                  2.5000000000000000        1173.0000000000000      perkinsnewton_80                                                                                                                    
 1645  600 29 0 mgts + 918 1 di +  59 0 cen  =  23 0 cats + 955 0 en +  16 1 odi                                                                    2.500    1173.0 perkinsnewton_80                        F
 140 1 gr + 860 0 py + 59 1 cen = 918 2 di +  23 1 cats                                                                                 2.5000000000000000        1173.0000000000000      perkinsnewton_80                                                                                                                    
 1646  601 140 1 gr + 860 0 py + 59 1 cen = 918 2 di +  23 1 cats                                                                                   2.500    1173.0 perkinsnewton_80                        F
 x140 1 gr + 860 0 py + 53 1 cen = 927 2 di +  20 1 cats                                                                                3.0000000000000000        1173.0000000000000       perkinsnewton_80                                                                                                                   
 x136 2 gr +  59 6 cen = 864 2 py + 918 6 di +  23 0 cats                                                                               2.5000000000000000        1173.0000000000000       perkinsnewton_80                                                                                                                   
 x80  6 cen  + 150 2 gr = 920 6 di   + 850 2 py                                                                                         3.0000000000000000        1373.0000000000000       perkinsnewton_80                                                                                                                   
 640 1 gr + 360 1 py = 100 2 co + 460 3 di + 500 0 cats + 40 0 cen                                                                      3.2500000000000000        1573.0000000000000      gasparik_84a (from abstract and Eq. 3)                                                                                              
 1650  602 640 1 gr + 360 1 py = 100 2 co + 460 3 di + 500 0 cats + 40 0 cen                                                                        3.250    1573.0 gasparik_84a                            F
 x958 4 mppv + 161 1 wuls = 42 4 fppv + 839 1 pe                                                                                        121.50000000000000        2140.0000000000000       sinmyoetal_08                                                                                                                      
 x932 4 mppv + 137 1 wuls = 68 4 fppv + 863 1 pe                                                                                        121.50000000000000        4000.0000000000000       sinmyoetal_08                                                                                                                      
 949 4 mppv + 149 1 wuls =  51 4 fppv + 851 1 pe                                                                                        121.50000000000000        2140.0000000000000       sinmyoetal_08 (43)                                                                                                                 
 1653  603 949 4 mppv + 149 1 wuls =  51 4 fppv + 851 1 pe                                                                                        121.500    2140.0 sinmyoetal_08                           F
 900 4 mppv + 101 1 wuls = 100 4 fppv + 899 1 pe                                                                                        121.50000000000000        4000.0000000000000       sinmyoetal_08 (43,44)                                                                                                              
 1654  604 900 4 mppv + 101 1 wuls = 100 4 fppv + 899 1 pe                                                                                        121.500    4000.0 sinmyoetal_08                           F
 x928 4 mppv + 128 1 wuls = 72 4 fppv + 872 1 pe                                                                                        121.50000000000000        4000.0000000000000       sinmyoetal_08 (31,43)                                                                                                              
 x958 4 mppv + 129 1 wu = 42 4 fppv + 871 1 pe                                                                                          123.59999999999999        1500.0000000000000       kobayashietal_05                                                                                                                   
 x94 1 mppv + 11 1 fepv = 6 1 fppv + 89 1 mgpv                                                                                          120.00000000000000        1750.0000000000000        hiroseetal_08                                                                                                                     
 x91 1 mppv +  9 1 fepv = 9 1 fppv + 91 1 mgpv                                                                                          120.00000000000000        4000.0000000000000        hiroseetal_08 (31)                                                                                                                
 x850 4 mppv +  50 1 wu = 150 4 fppv + 950 1 pe                                                                                         115.00000000000000        2200.0000000000000        auzendeetal_08 (38)                                                                                                               
 x850 4 mppv +  50 1 wu = 150 4 fppv + 950 1 pe                                                                                         115.00000000000000        3200.0000000000000        auzendeetal_08 (38)                                                                                                               
 x923 4 mppv + 111 1 wu =  77 4 fppv + 889 1 pe                                                                                         115.00000000000000        2200.0000000000000        auzendeetal_08                                                                                                                    
 x923 4 mppv + 111 1 wu =  77 4 fppv + 889 1 pe                                                                                         115.00000000000000        3200.0000000000000        auzendeetal_08                                                                                                                    
 x900 4 mppv + 100 1 wu = 100 4 fppv + 900 1 pe                                                                                         115.00000000000000        4500.0000000000000        auzendeetal_08                                                                                                                    
 x300 0 fppv + 100 1 alpv = 300 0 fepv + 100 1 appv                                                                                     176.00000000000000        2000.0000000000000       dorfmanetal_12a                                                                                                                    
 75  2 jd + 925 0 di + 2000 2 qtz = 2000 2 ab                                                                                          0.84999999999999998        873.00000000000000      holland_83                                                                                                                          
 1665  605 75  2 jd + 925 0 di + 2000 2 qtz = 2000 2 ab                                                                                             0.850     873.0 holland_83                              F
 145 2 jd + 855 0 di + 2000 2 qtz = 2000 2 ab                                                                                          0.84999999999999998        873.00000000000000      holland_83                                                                                                                          
 1666  606 145 2 jd + 855 0 di + 2000 2 qtz = 2000 2 ab                                                                                             0.850     873.0 holland_83                              F
 110 2 jd + 890 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.0000000000000000        873.00000000000000      holland_83                                                                                                                          
 1667  607 110 2 jd + 890 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.000     873.0 holland_83                              F
 210 2 jd + 790 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.0000000000000000        873.00000000000000      holland_83                                                                                                                          
 1668  608 210 2 jd + 790 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.000     873.0 holland_83                              F
 200 2 jd + 800 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.0000000000000000        873.00000000000000      holland_83                                                                                                                          
 1669  609 200 2 jd + 800 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.000     873.0 holland_83                              F
 200 2 jd + 800 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.0000000000000000        873.00000000000000      holland_83                                                                                                                          
 1670  610 200 2 jd + 800 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.000     873.0 holland_83                              F
 150 2 jd + 850 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.1000000000000001        873.00000000000000      holland_83                                                                                                                          
 1671  611 150 2 jd + 850 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.100     873.0 holland_83                              F
 215 2 jd + 785 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.1000000000000001        873.00000000000000      holland_83                                                                                                                          
 1672  612 215 2 jd + 785 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.100     873.0 holland_83                              F
 115 2 jd + 885 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.1000000000000001        873.00000000000000      holland_83                                                                                                                          
 1673  613 115 2 jd + 885 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.100     873.0 holland_83                              F
 200 2 jd + 800 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.1499999999999999        873.00000000000000      holland_83                                                                                                                          
 1674  614 200 2 jd + 800 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.150     873.0 holland_83                              F
 220 2 jd + 780 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.1499999999999999        873.00000000000000      holland_83                                                                                                                          
 1675  615 220 2 jd + 780 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.150     873.0 holland_83                              F
 140 2 jd + 860 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.2000000000000000        873.00000000000000      holland_83                                                                                                                          
 1676  616 140 2 jd + 860 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.200     873.0 holland_83                              F
 240 2 jd + 760 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.2000000000000000        873.00000000000000      holland_83                                                                                                                          
 1677  617 240 2 jd + 760 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.200     873.0 holland_83                              F
 150 2 jd + 850 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.3000000000000000        873.00000000000000      holland_83                                                                                                                          
 1678  618 150 2 jd + 850 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.300     873.0 holland_83                              F
 500 2 jd + 500 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.3000000000000000        873.00000000000000      holland_83                                                                                                                          
 1679  619 500 2 jd + 500 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.300     873.0 holland_83                              F
 250 2 jd + 750 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.3000000000000000        873.00000000000000      holland_83                                                                                                                          
 1680  620 250 2 jd + 750 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.300     873.0 holland_83                              F
 500 2 jd + 500 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.3000000000000000        873.00000000000000      holland_83                                                                                                                          
 1681  621 500 2 jd + 500 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.300     873.0 holland_83                              F
 570 2 jd + 430 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.3000000000000000        873.00000000000000      holland_83                                                                                                                          
 1682  622 570 2 jd + 430 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.300     873.0 holland_83                              F
 680 2 jd + 320 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.5000000000000000        873.00000000000000      holland_83                                                                                                                          
 1683  623 680 2 jd + 320 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.500     873.0 holland_83                              F
 830 2 jd + 170 0 di + 2000 2 qtz = 2000 2 ab                                                                                           1.6000000000000001        873.00000000000000      holland_83                                                                                                                          
 1684  624 830 2 jd + 170 0 di + 2000 2 qtz = 2000 2 ab                                                                                             1.600     873.0 holland_83                              F
 75  2 jd + 925 0 di + 2000 2 qtz = 2000 2 ab                                                                                          0.85999999999999999        873.00000000000000      holland_83                                                                                                                          
 1685  625 75  2 jd + 925 0 di + 2000 2 qtz = 2000 2 ab                                                                                             0.860     873.0 holland_83                              F
 100 1 mgc2 = 49 1 cen + 51 0 jd                                                                                                        13.500000000000000        1923.0000000000000      gasparik_92                                                                                                                         
 1686  626 100 1 mgc2 = 49 1 cen + 51 0 jd                                                                                                         13.500    1923.0 gasparik_92                             F
 x100 4 mgil = 30 1 mgmj + 35 0 namj + 35 0 py                                                                                          20.699999999999999        1923.0000000000000       gasparik_92                                                                                                                        
 x50 1 namj + 9 2 mgcf = 50 1 py + 91 2 nacf                                                                                            20.699999999999999        1923.0000000000000       gasparik_92                                                                                                                        
 x30 1 namj + 16 2 mgcf = 70 1 py + 84 2 nacf                                                                                           18.500000000000000        1873.0000000000000       dymshitsetal_13                                                                                                                    
 x30 1 namj + 14 2 mgcf = 70 1 py + 86 2 nacf                                                                                           19.000000000000000        2073.0000000000000       dymshitsetal_13                                                                                                                    
 100 2 mgc2 = 30 1 mgmj + 40 0 namj + 40 0 py                                                                                           14.000000000000000        1923.0000000000000      gasparik_92                                                                                                                         
 1691  627 100 2 mgc2 = 30 1 mgmj + 40 0 namj + 40 0 py                                                                                            14.000    1923.0 gasparik_92                             F
 x163 6 di + 837 4 jd = 400 2 gr + 94  2 namj + 0 1 mgmj + 506 0 py                                                                     15.500000000000000        1873.0000000000000       bobrovetal_08 (run 430)                                                                                                            
 x52  6 di + 948 4 jd = 398 2 gr + 256 2 namj + 0 1 mgmj + 346 0 py                                                                     21.500000000000000        1873.0000000000000       bobrovetal_08 (run 606)                                                                                                            
 x741 6 di + 259 4 jd = 302 2 gr + 206 2 namj + 0 1 mgmj + 492 0 py                                                                     18.500000000000000        1873.0000000000000       bobrovetal_08 (run 620)                                                                                                            
 x306 6 di + 694 4 jd = 317 2 gr + 475 2 namj + 50 1 mgmj + 158 0 py                                                                    18.000000000000000        2373.0000000000000        gasparik_96b (run 2225)                                                                                                           
 x234 6 di + 766 4 jd = 317 2 gr + 475 2 namj + 50 1 mgmj + 158 0 py                                                                    19.000000000000000        2423.0000000000000        gasparik_96b (run 2250)                                                                                                           
 x306 6 di + 475 3 namj + 158 5 py = 694 6 jd + 317 2 gr + 50 6 mgmj                                                                    18.000000000000000        2373.0000000000000       gasparik_96b (run 2225)                                                                                                            
 x234 6 di + 475 3 namj + 158 5 py = 766 6 jd + 317 2 gr + 50 6 mgmj                                                                    19.000000000000000        2423.0000000000000       gasparik_96b (run 2250)                                                                                                            
 x180 6 di + 440 3 namj +  67 5 py = 820 6 jd + 373 2 gr + 120 6 mgmj                                                                   18.000000000000000        1773.0000000000000       gasparik_96b (run 2383: piercing points                                                                                            
 x330 6 di + 460 3 namj + 100 5 py = 670 6 jd + 360 2 gr +  80 6 mgmj                                                                   18.000000000000000        2373.0000000000000       gasparik_96b (run 2225: piercing points                                                                                            
 x75 1 mnal + 70 2 nacf = 25 1 nnal + 30 2 mgcf                                                                                         23.000000000000000        1873.0000000000000       onoetal_09                                                                                                                         
 71 0 mnal + 70 3 nacf = 29 1 nnal + 30 0 mgcf                                                                                          23.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1702  628 71 0 mnal + 70 3 nacf = 29 1 nnal + 30 0 mgcf                                                                                           23.000    1873.0 onoetal_09                              F
 71 1 mnal + 29 0 nnal = 70 1 nacf + 30 2 mgcf                                                                                          23.000000000000000        1873.0000000000000      onoetal_09                                                                                                                          
 1703  629 71 1 mnal + 29 0 nnal = 70 1 nacf + 30 2 mgcf                                                                                           23.000    1873.0 onoetal_09                              F
 100 1 mnal = 90 2 mgcf + 10 1 nacf                                                                                                     25.000000000000000        1873.0000000000000      onoetal_09 (34)                                                                                                                     
 1704  630 100 1 mnal = 90 2 mgcf + 10 1 nacf                                                                                                      25.000    1873.0 onoetal_09                              F
 40 1 fnal + 60 2 mgcf = 60 1 mnal + 40 2 fecf                                                                                          23.000000000000000        1673.0000000000000      thiswork (32)                                                                                                                       
 1705  631 40 1 fnal + 60 2 mgcf = 60 1 mnal + 40 2 fecf                                                                                           23.000    1673.0 thiswork                                F
 40 1 fnal + 60 2 mgcf = 60 1 mnal + 40 2 fecf                                                                                          23.000000000000000        2073.0000000000000      thiswork (32)                                                                                                                       
 1706  632 40 1 fnal + 60 2 mgcf = 60 1 mnal + 40 2 fecf                                                                                           23.000    2073.0 thiswork                                F
 x100 2 jd = 50 1 jdmj + 50 0 mgmj                                                                                                      20.699999999999999        1923.0000000000000       gasparik_92                                                                                                                        
 x100 2 jd = 50 1 jdmj + 50 0 mgmj                                                                                                      20.699999999999999        1823.0000000000000       gasparik_92                                                                                                                        
 x100 2 nacf + 100 2 st = 50 1 jdmj + 50 0 mgmj                                                                                         21.899999999999999        1923.0000000000000       gasparik_92                                                                                                                        
 x100 2 nacf + 100 2 st = 50 1 jdmj + 50 0 mgmj                                                                                         21.899999999999999        1823.0000000000000       gasparik_92                                                                                                                        
 35 1 fepv + 60 1 mgcf = 65 1 mgpv + 40 1 fecf                                                                                          60.000000000000000        2000.0000000000000      hiroseetal_05                                                                                                                       
 1711  633 35 1 fepv + 60 1 mgcf = 65 1 mgpv + 40 1 fecf                                                                                           60.000    2000.0 hiroseetal_05                           F
 35 1 fepv + 60 1 mgcf = 65 1 mgpv + 40 1 fecf                                                                                          60.000000000000000        2400.0000000000000      hiroseetal_05                                                                                                                       
 1712  634 35 1 fepv + 60 1 mgcf = 65 1 mgpv + 40 1 fecf                                                                                           60.000    2400.0 hiroseetal_05                           F
 x29 1 fepv + 32 1 mgcf + 14 0 alpv = 57 1 mgpv + 18 1 fecf + 50 0 nacf                                                                 60.000000000000000        2000.0000000000000       hiroseetal_05                                                                                                                      
 x29 1 fepv + 32 1 mgcf + 14 0 alpv = 57 1 mgpv + 18 1 fecf + 50 0 nacf                                                                 60.000000000000000        2400.0000000000000       hiroseetal_05                                                                                                                      
 x33 4 mscf + 67 0 mgcf = 100 4 mgpv + 100 1 pe                                                                                         27.000000000000000        1873.0000000000000       kojitanietal_07                                                                                                                    
 x43 4 mscf + 57 0 mgcf = 100 4 mgpv + 100 1 pe                                                                                         27.000000000000000        2273.0000000000000       kojitanietal_07 (36)                                                                                                               
 x432 0 mgpv + 287 0 fepv + 281 0 alpv = 126 0 mgcf + 288 0 fecf + 458 0 nacf + 128 0 mscf                                              27.000000000000000        1973.0000000000000       hiroseetal_99                                                                                                                      
 x432 1 mgpv + 288 1 fecf + 281 0 alpv = 126 1 mgcf + 287 1 fepv + 458 0 nacf + 128 0 mscf                                              27.000000000000000        1973.0000000000000       hiroseetal_99                                                                                                                      
 x432 1 mgpv + 126 1 mgcf + 288 0 fecf = 281 1 alpv + 128 1 mscf + 287 0 fepv + 458 0 nacf                                              27.000000000000000        1973.0000000000000       hiroseetal_99                                                                                                                      
 x100 1 py = 915 3 mgpv +  85 1 alpv                                                                                                    27.300000000000001        1673.0000000000000       kuboakaogi_00                                                                                                                      
 x100 1 py = 859 3 mgpv + 141 1 alpv                                                                                                    27.300000000000001        2073.0000000000000       kuboakaogi_00                                                                                                                      
 x100 1 py = 871 3 mgpv + 129 1 alpv                                                                                                    27.199999999999999        2173.0000000000000       kuboakaogi_00                                                                                                                      
 x963 1 py + 37 0 mgmj = 901 3 mgpv +  99 1 alpv                                                                                        26.699999999999999        1873.0000000000000        kuboakaogi_00 (37)                                                                                                                
 x100 1 py = 212 3 mgil + 788 1 co                                                                                                      27.300000000000001        1673.0000000000000       kuboakaogi_00                                                                                                                      
 x100 1 py = 315 3 mgil + 685 1 co                                                                                                      27.300000000000001        2073.0000000000000       kuboakaogi_00                                                                                                                      
 x100 1 py = 315 3 mgil + 685 1 co                                                                                                      27.199999999999999        2173.0000000000000       kuboakaogi_00                                                                                                                      
 x100 1 py = 232 3 mgil + 768 1 co                                                                                                      26.699999999999999        1873.0000000000000       kuboakaogi_00                                                                                                                      
 x232 1 mgil + 768 0 co = 901 1 mgpv +  99 0 alpv                                                                                       26.699999999999999        1873.0000000000000        kuboakaogi_00                                                                                                                     
 x232 0 mgil + 768 1 co = 901 0 mgpv +  99 1 alpv                                                                                       26.699999999999999        1873.0000000000000        kuboakaogi_00                                                                                                                     
 322 0 mgil + 678 1 co = 808 0 mgpv + 192 1 alpv                                                                                        27.000000000000000        2300.0000000000000       liuetal_17 IRIS244.1                                                                                                               
 1730  635 322 0 mgil + 678 1 co = 808 0 mgpv + 192 1 alpv                                                                                         27.000    2300.0 liuetal_17                              F
 322 1 mgil + 678 0 co = 808 1 mgpv + 192 0 alpv                                                                                        27.000000000000000        2300.0000000000000       liuetal_17 IRIS244.1                                                                                                               
 1731  636 322 1 mgil + 678 0 co = 808 1 mgpv + 192 0 alpv                                                                                         27.000    2300.0 liuetal_17                              F
 x302 0 mgil + 698 1 co = 808 0 mgpv + 192 1 alpv                                                                                       27.000000000000000        2300.0000000000000        liuetal_17 IRIS244.2                                                                                                              
 x275 1 mgil + 725 0 co = 789 1 mgpv + 211 0 alpv                                                                                       30.000000000000000        2300.0000000000000        liuetal_17 IRIS252.1                                                                                                              
 x217 1 mgil + 783 0 co = 727 1 mgpv + 273 0 alpv                                                                                       35.000000000000000        2300.0000000000000        liuetal_17 S6615.1                                                                                                                
 x780 4 mgpv + 185 1 wu = 177 4 fepv + 815 1 pe + 43 0 alpv                                                                             25.000000000000000        1773.0000000000000       woodrubie_96                                                                                                                       
 x900 0 pe +  50 1 wuls = 900 0 pe +  50 1 wu                                                                                           52.100000000000001        300.00000000000000        solomatovaetal_16                                                                                                                 
 x900 0 pe +  20 1 wuls = 900 0 pe +  80 1 wu                                                                                           51.000000000000000        300.00000000000000        solomatovaetal_16                                                                                                                 
 x830 0 pe +  85 1 wuls = 900 0 pe +  85 1 wu                                                                                           49.200000000000003        300.00000000000000        solomatovaetal_16                                                                                                                 
 x830 0 pe +  34 1 wuls = 900 0 pe + 136 1 wu                                                                                           45.100000000000001        300.00000000000000        solomatovaetal_16                                                                                                                 
 x830 0 pe + 136 1 wuls = 900 0 pe +  34 1 wu                                                                                           53.299999999999997        300.00000000000000        solomatovaetal_16                                                                                                                 
 900 0 pe +  50 1 wuls = 900 0 pe +  50 1 wu                                                                                            52.100000000000001        300.00000000000000       solomatovaetal_16                                                                                                                  
 1741  637 900 0 pe +  50 1 wuls = 900 0 pe +  50 1 wu                                                                                             52.100     300.0 solomatovaetal_16                       F
 520 0 pe + 240 1 wuls = 520 0 pe + 240 1 wu                                                                                            68.799999999999997        300.00000000000000       solomatovaetal_16                                                                                                                  
 1742  638 520 0 pe + 240 1 wuls = 520 0 pe + 240 1 wu                                                                                             68.800     300.0 solomatovaetal_16                       F
 520 0 pe +  96 1 wuls = 520 0 pe + 384 1 wu                                                                                            59.600000000000001        300.00000000000000       solomatovaetal_16                                                                                                                  
 1743  639 520 0 pe +  96 1 wuls = 520 0 pe + 384 1 wu                                                                                             59.600     300.0 solomatovaetal_16                       F
 520 0 pe + 384 1 wuls = 520 0 pe +  96 1 wu                                                                                            78.000000000000000        300.00000000000000       solomatovaetal_16                                                                                                                  
 1744  640 520 0 pe + 384 1 wuls = 520 0 pe +  96 1 wu                                                                                             78.000     300.0 solomatovaetal_16                       F
 750 0 pe + 125 1 wuls = 750 0 pe + 125 1 wu                                                                                            95.000000000000000        2000.0000000000000       maoetal_11                                                                                                                         
 1745  641 750 0 pe + 125 1 wuls = 750 0 pe + 125 1 wu                                                                                             95.000    2000.0 maoetal_11                              F
 x610 0 mgpv +   0 1 flpv = 610 0 mgpv + 390 1 fepv                                                                                     0.0000000000000000        300.00000000000000        dorfmanetal_15                                                                                                                    
 x610 0 mgpv +   1 1 flpv = 610 0 mgpv + 389 1 fepv                                                                                     126.00000000000000        300.00000000000000        dorfmanetal_15                                                                                                                    
 x610 0 mgpv +  73 1 flpv = 610 0 mgpv + 317 1 fepv                                                                                     126.00000000000000        300.00000000000000        dorfmanetal_15                                                                                                                    
 x260 0 mgpv +   1 1 flpv = 260 0 mgpv + 739 1 fepv                                                                                     0.0000000000000000        300.00000000000000        dorfmanetal_15                                                                                                                    
 x260 0 mgpv + 271 1 flpv = 260 0 mgpv + 469 1 fepv                                                                                     83.000000000000000        300.00000000000000        dorfmanetal_15                                                                                                                    
 x260 0 mgpv + 271 1 flpv = 260 0 mgpv + 469 1 fepv                                                                                     83.000000000000000        2000.0000000000000        Assume same Clapeyron slope as hepv-hl                                                                                            
 610 0 mgpv +  73 1 flpv = 610 0 mgpv + 317 1 fepv                                                                                      572.00000000000000        300.00000000000000       dorfmanetal_15 Artificial datum to make                                                                                            
 1752  642 610 0 mgpv +  73 1 flpv = 610 0 mgpv + 317 1 fepv                                                                                      572.000     300.0 dorfmanetal_15                          F
 260 0 mgpv + 271 1 flpv = 260 0 mgpv + 469 1 fepv                                                                                      533.00000000000000        300.00000000000000       dorfmanetal_15 Artificial datum to make                                                                                            
 1753  643 260 0 mgpv + 271 1 flpv = 260 0 mgpv + 469 1 fepv                                                                                      533.000     300.0 dorfmanetal_15                          F
 260 0 mgpv + 370 1 flpv = 260 0 mgpv + 370 1 fepv                                                                                      568.00000000000000        300.00000000000000       dorfmanetal_15 Artificial datum to make                                                                                            
 1754  644 260 0 mgpv + 370 1 flpv = 260 0 mgpv + 370 1 fepv                                                                                      568.000     300.0 dorfmanetal_15                          F
 260 0 mgpv + 271 1 flpv = 260 0 mgpv + 469 1 fepv                                                                                      540.00000000000000        2000.0000000000000       Artificial datum to make flpv very unst                                                                                            
 1755  645 260 0 mgpv + 271 1 flpv = 260 0 mgpv + 469 1 fepv                                                                                      540.000    2000.0 Artificial                              F
 x480 0 pe + 520 3 wu = 20 4 hepv + 1000 4 feg + 860 0 mgpv + 120 0 fepv                                                                25.000000000000000        1923.0000000000000        frostlangenhorst_02 D                                                                                                             
 x888 0 pe + 112 3 wu =  2 4 hepv + 1000 4 feg + 958 0 mgpv +  40 0 fepv                                                                25.000000000000000        1923.0000000000000        frostlangenhorst_02 AB                                                                                                            
 x633 0 pe + 367 3 wu = 12 4 hepv + 1000 4 feg + 908 0 mgpv +  80 0 fepv                                                                25.000000000000000        1923.0000000000000        frostlangenhorst_02 B                                                                                                             
 x805 0 pe + 195 3 wu =  3 4 hepv + 1000 4 feg + 933 0 mgpv +  64 0 fepv                                                                25.000000000000000        1923.0000000000000        frostlangenhorst_02 A                                                                                                             
 x85 3 fepv + 904 0 mgpv =  11 1 hepv + 1000 1 feg + 1000 3 st                                                                          26.000000000000000        1973.0000000000000        lauterbachetal_00 Run 1996                                                                                                        
 82 3 fepv + 913 0 mgpv =   5 1 hepv + 1000 1 feg + 1000 3 st                                                                           26.000000000000000        1973.0000000000000       lauterbachetal_00 Run 1579                                                                                                         
 1761  646 82 3 fepv + 913 0 mgpv =   5 1 hepv + 1000 1 feg + 1000 3 st                                                                            26.000    1973.0 lauterbachetal_00                       F
 x125 12 fepv + 1000 3 pe = 874 12 mgpv +  1 4 hepv + 1000 4 feg                                                                        20.000000000000000        2000.0000000000000        xuetal_15 Eq. 9 Fig. 6.                                                                                                           
 x125 12 fepv + 1000 3 pe = 870 12 mgpv +  5 4 hlpv + 1000 4 feg                                                                        120.00000000000000        2000.0000000000000        xuetal_15 Eq. 9 Fig. 6.                                                                                                           
 x125 12 fepv + 1000 3 pe = 870 12 mgpv +  5 4 hepv + 1000 4 feg                                                                        20.000000000000000        4000.0000000000000        xuetal_15 Eq. 9 Fig. 6.                                                                                                           
 x125 12 fepv + 1000 3 pe = 864 12 mgpv + 11 4 hlpv + 1000 4 feg                                                                        120.00000000000000        4000.0000000000000        xuetal_15 Eq. 9 Fig. 6.                                                                                                           
 x703 3 fepv + 260 0 mgpv =  37 1 hepv + 1000 1 feg + 1000 3 st                                                                         26.000000000000000        2000.0000000000000        nakajimaetal_12 diamond trend ferric u                                                                                            
 x900 0 mgpv + 100 1 hepv = 900 0 mgpv + 100 1 hlpv                                                                                     55.000000000000000        300.00000000000000        catallietal_10                                                                                                                    
 x900 0 mgpv + 100 1 hepv = 900 0 mgpv + 100 1 hlpv                                                                                     82.000000000000000        2000.0000000000000        tsuchiyawang_13                                                                                                                   
 500 0 mgpv + 500 1 hepv = 500 0 mgpv + 500 1 hlpv                                                                                      48.500000000000000        300.00000000000000        liuetal_18                                                                                                                        
 1769  647 500 0 mgpv + 500 1 hepv = 500 0 mgpv + 500 1 hlpv                                                                                       48.500     300.0 liuetal_18                              F
 500 0 mgpv + 500 1 hepv = 500 0 mgpv + 500 1 hlpv                                                                                      76.000000000000000        2000.0000000000000        tsuchiyawang_13 Clapeyron slope                                                                                                   
 1770  648 500 0 mgpv + 500 1 hepv = 500 0 mgpv + 500 1 hlpv                                                                                       76.000    2000.0 tsuchiyawang_13                         F
 x1000 1 hepv = 1000 1 hlpv                                                                                                             49.000000000000000        300.00000000000000        bykovaetal_16                                                                                                                     
 x100 1 hppv = 100 1 lppv                                                                                                               110.00000000000000        300.00000000000000        bykovaetal_09                                                                                                                     
 x100 1 hppv = 100 1 lppv                                                                                                               137.00000000000000        2000.0000000000000        bykovaetal_09 (42)                                                                                                                
 100 1 hppv = 100 1 lppv                                                                                                                200.00000000000000        300.00000000000000       bykovaetal_09                                                                                                                      
 1774  649 100 1 hppv = 100 1 lppv                                                                                                                200.000     300.0 bykovaetal_09                           F
 100 1 hppv = 100 1 lppv                                                                                                                227.00000000000000        2000.0000000000000       bykovaetal_09 (42)                                                                                                                 
 1775  650 100 1 hppv = 100 1 lppv                                                                                                                227.000    2000.0 bykovaetal_09                           F
 x125 1 hppv + 875 1 mppv = 125 1 lppv + 875 1 mppv                                                                                     59.500000000000000        300.00000000000000        shuklaetal_15b                                                                                                                    
 100 1 hmag = 100 1 mag                                                                                                                 9.6095000000000006        1073.0000000000000       schollenbruchetal_11 Eq. pg. 826                                                                                                   
 1777  651 100 1 hmag = 100 1 mag                                                                                                                   9.610    1073.0 schollenbruchetal_11                    F
 100 1 hmag = 100 1 mag                                                                                                                 10.509499999999999        1673.0000000000000       schollenbruchetal_11 Eq. pg. 826                                                                                                   
 1778  652 100 1 hmag = 100 1 mag                                                                                                                  10.509    1673.0 schollenbruchetal_11                    F
 x209 1 mag + 1000 1 fea = 791 1 wu                                                                                                     0.0000000000000000        833.00000000000000        darkengurry_45                                                                                                                    
 x183 1 mag + 1000 1 feg = 817 1 wu                                                                                                     0.0000000000000000        1373.0000000000000        darkengurry_45                                                                                                                    
 187 1 mag + 1000 1 feg = 813 1 wu                                                                                                      0.0000000000000000        1473.0000000000000       darkengurry_45                                                                                                                     
 1781  653 187 1 mag + 1000 1 feg = 813 1 wu                                                                                                        0.000    1473.0 darkengurry_45                          F
 x192 1 mag + 1000 1 feg = 808 1 wu                                                                                                     0.0000000000000000        1573.0000000000000        darkengurry_45                                                                                                                    
 x196 1 mag + 1000 1 feg = 804 1 wu                                                                                                     0.0000000000000000        1623.0000000000000        darkengurry_45                                                                                                                    
 x568 1 mag + 432 0 wu = 1000 1 smag                                                                                                    0.0000000000000000        1473.0000000000000        darkengurry_45                                                                                                                    
 x209 1 mag + 791 0 wu = 1000 1 smag                                                                                                    0.0000000000000000        833.00000000000000       darkengurry_45                                                                                                                     
 x5   1 mag + 1000 1 feg = 100 1 wu + 895 0 pe                                                                                          0.0000000000000000        1473.0000000000000        oneilletal_03                                                                                                                     
 x24  1 mag + 1000 1 feg = 243 1 wu + 733 0 pe                                                                                          0.0000000000000000        1473.0000000000000        oneilletal_03                                                                                                                     
 24  1 mag + 1000 1 feg = 327 1 wu + 649 0 pe                                                                                           0.0000000000000000        1473.0000000000000       oneilletal_03                                                                                                                      
 1788  654 24  1 mag + 1000 1 feg = 327 1 wu + 649 0 pe                                                                                             0.000    1473.0 oneilletal_03                           F
 x39  1 mag + 1000 1 feg = 422 1 wu + 539 0 pe                                                                                          0.0000000000000000        1473.0000000000000        oneilletal_03                                                                                                                     
 x76  1 mag + 1000 1 feg = 663 1 wu + 261 0 pe                                                                                          0.0000000000000000        1473.0000000000000        oneilletal_03                                                                                                                     
 183 4 fepv + 817 0 mgpv = 635 1 wu + 365 0 pe + 1000 4 st                                                                              22.000000000000000        2273.0000000000000        tangeetal_09a                                                                                                                     
 1791  655 183 4 fepv + 817 0 mgpv = 635 1 wu + 365 0 pe + 1000 4 st                                                                               22.000    2273.0 tangeetal_09a                           F
 183 0 fepv + 817 4 mgpv = 635 0 wu + 365 1 pe + 1000 4 st                                                                              22.000000000000000        2273.0000000000000        tangeetal_09a                                                                                                                     
 1792  656 183 0 fepv + 817 4 mgpv = 635 0 wu + 365 1 pe + 1000 4 st                                                                               22.000    2273.0 tangeetal_09a                           F
 x318 4 fepv + 682 0 mgpv = 904 1 wu + 96 0 pe + 1000 4 st                                                                              43.000000000000000        2273.0000000000000        tangeetal_09a                                                                                                                     
 x318 0 fepv + 682 4 mgpv = 904 0 wu + 96 1 pe + 1000 4 st                                                                              43.000000000000000        2273.0000000000000        tangeetal_09a                                                                                                                     
 x189 3 wu + 811 0 pe = 50 4 hepv + 1000 4 feg + 837 0 mgpv + 74 0 alpv + 49 0 fepv                                                     25.000000000000000        1923.0000000000000        frostlangenhorst_02                                                                                                               
                                                                                                                                        0.0000000000000000        0.0000000000000000                                                                                                                                          
  
 Details of Phase Equilibria Data
    1fo                       7.00000  3000.00000  F
   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
    2fo                       7.00000  3000.00000  F
   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
    3fo                       7.00000  3000.00000  F
   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
    4fo                       7.00000  3000.00000  F
   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
    5mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
    6mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
    7mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
    8mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
    9mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   10mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   11mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   12mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   13mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   14mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   15mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   16mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   17mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   18mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   19mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   20mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   21mgwa                     7.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   22mgri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   23mgri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   24mgri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   25mgri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   26mgri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   27mgri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   28mgri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   29mgri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   30mgri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   31mgri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   32mgri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   33mgpvpe                  28.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   4   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   34mgpvpe                  28.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   4   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   35en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   36en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   37en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   38en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   39en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   40en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   41en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   42en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   43en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   44en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   45en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   46mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   47mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   48mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   49mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   50mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   51mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   52mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   53mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   54mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   55mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   56mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   57mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   58mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   59mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   60mgc2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   61mgmj                    20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   62mgmj                    20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   63mgil                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   64mgil                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   65mgil                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   66mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   67mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   68mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   69mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   70mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   71mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   72mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   73mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   74mgwast                  10.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   75mgwast                  10.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   76mgwast                  10.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   77mgwast                  10.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   78mgwast                  10.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   79mgrist                  10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   80mgrist                  10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   81fs                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   82fs                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   83fs                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   84fs                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   85fs                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   86fec2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   87fec2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   88fec2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   89fec2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   90fec2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   91fec2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   92fec2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   93fec2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   94fec2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   95fec2                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   96ferist                  10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   97ferist                  10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   98ferist                  10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
   99wust                    14.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  100wust                    14.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  101wust                    14.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  102wust                    14.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  103wuwulsapbo             200.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0********   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  104wuwulsst               200.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0********   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  105fa                       7.00000  3000.00000  F
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   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  106fa                       7.00000  3000.00000  F
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   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  107fa                       7.00000  3000.00000  F
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   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  108fa                       7.00000  3000.00000  F
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   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  109fa                       7.00000  3000.00000  F
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   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  110feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  111feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  112feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  113feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  114feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  115feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  116feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  117feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  118feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  119feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  120feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  121feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  122feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  123feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  124feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  125feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  126feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  127feri                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  128di                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  129di                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  130di                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  131di                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  132di                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  133di                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  134di                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  135di                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  136capvmgwast              20.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  137capvmgwast              20.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  138capvmgwast              20.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  139capvmgwast              20.00000  3000.00000  F
   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  140capvmgrist              20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  141capvmgrist              20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  142capvmgrist              20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  143capvmgrist              20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  144capvmgil                10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0********   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  145capvmgil                10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0********   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  146capvmgil                10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0********   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  147capvmgil                10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0********   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  148capvmgil                10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0********   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  149capvmgil                10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0********   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  150capvmgpv                10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  151capvmgpv                10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  152capvmgpv                10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  153capvco                  20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   3   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  154capvco                  20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   3   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  155st                       3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  156st                       3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  157st                       3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  158st                       3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  159apbo                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  160apbo                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  161apbo                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  162apbo                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  163st                       3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  164apbo                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  165st                       3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  166apbo                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  167mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  168mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  169mppv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  170mppv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  171mppv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  172mppv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  173mppv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  174mppv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  175mppv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  176mppv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  177mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  178mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  179mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  180mppv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  181mppv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  182peco                    28.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   4   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  183peco                    28.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   4   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  184peco                    28.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   4   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  185peco                    28.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   4   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  186mgcf                     7.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  187mgcf                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  188mgcf                     7.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  189mgcf                     7.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  190jdst                    13.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  191jdst                    13.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  192jdst                    13.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  193nacfst                  13.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  194nacfst                  13.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  195ab                      13.00000  3000.00000  F
   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  196jdqtz                   13.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  197ab                      13.00000  3000.00000  F
   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  198jdqtz                   13.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  199ab                      13.00000  3000.00000  F
   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  200jdqtz                   13.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  201ab                      13.00000  3000.00000  F
   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  202jdqtz                   13.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  203ab                      13.00000  3000.00000  F
   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  204ab                      13.00000  3000.00000  F
   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  205jdqtz                   13.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  206ab                      13.00000  3000.00000  F
   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  207jdqtz                   13.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  208coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  209coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  210coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  211coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  212coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  213st                       3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  214st                       3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  215coes                     3.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  216coes                     3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  217coes                     3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  218st                       3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  219coes                     3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  220st                       3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  221st                       3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  222st                       3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  223coes                     3.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  224coes                     3.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  225coes                     3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  226st                       3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  227st                       3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  228st                       3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  229coes                     3.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  230coes                     3.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  231coes                     3.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  232qtz                      3.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  233qtz                      3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  234qtz                      3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  235qtz                      3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  236qtz                      3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  237qtz                      3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  238qtz                      3.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  239qtz                      3.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  240qtz                      3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  241qtz                      3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  242qtz                      3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  243coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  244coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  245coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  246coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  247coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  248coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  249coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  250coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  251coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  252coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  253coes                     3.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  254cats                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  255cats                    10.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  256cats                    10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  257grco                    30.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  258grco                    30.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  259grco                    30.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  260faqtz                   10.00000  3000.00000  F
   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  261faqtz                   10.00000  3000.00000  F
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   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  262faqtz                   10.00000  3000.00000  F
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   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  263faqtz                   10.00000  3000.00000  F
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   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  264fs                      10.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  265fs                      10.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  266fs                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  267ky                       8.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  268qtzco                    8.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  269qtzco                    8.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  270ky                       8.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  271qtzco                    8.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  272ky                       8.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  273grkyqtz                 39.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  274an                      39.00000  3000.00000  F
   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  275grkyqtz                 39.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  276grkyqtz                 39.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  277an                      39.00000  3000.00000  F
   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  278an                      39.00000  3000.00000  F
   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  279grkyqtz                 39.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  280an                      39.00000  3000.00000  F
   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  281grkyqtz                 39.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  282an                      39.00000  3000.00000  F
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****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  283an                      39.00000  3000.00000  F
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****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  284grkyqtz                 39.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  285an                      39.00000  3000.00000  F
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****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  286an                      39.00000  3000.00000  F
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****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  287grkyqtz                 39.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  288an                      39.00000  3000.00000  F
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****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  289grkyqtz                 39.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  290an                      39.00000  3000.00000  F
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****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  291grkyqtz                 39.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  292an                      39.00000  3000.00000  F
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****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  293grkyqtz                 39.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  294grkyqtz                 39.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  295grkyqtz                 39.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  296an                      39.00000  3000.00000  F
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****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  297an                      39.00000  3000.00000  F
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****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  298jd                      10.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  299nephab                  20.00000  3000.00000  F
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   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  300jdanao                  18.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  301jdanao                  18.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  302jdanao                  18.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  303jdanao                  18.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  304jdanao                  18.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  305jdanao                  18.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  306nacf                     7.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  307nacf                     7.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  308nacf                     7.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  309nacf                     7.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  310nacf                     7.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  311nacf                     7.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  312spjdanao                64.00000  3000.00000  F
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   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  313mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  314mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  315spjdanao                64.00000  3000.00000  F
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   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  316spjdanao                64.00000  3000.00000  F
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   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  317mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  318mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  319mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  320spjdanao                64.00000  3000.00000  F
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   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  321spjdanao                64.00000  3000.00000  F
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   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  322mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  323mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  324mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  325mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  326mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  327mnalnnal                84.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   3   0   1   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  328mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  329mnalnnal                84.00000  3000.00000  F
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   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  330mgcfnacf                70.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   3   0   7   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  331mnalnnal               210.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   9   0   1   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  332mnalnnal               210.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   9   0   1   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  333mnalnnal               210.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   9   0   1   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  334mnalnnal                84.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   3   0   1   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  335en                      10.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  336mgpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  337co                       5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  338co                       5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  339co                       5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  340co                       5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  341co                       5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  342alpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  343alpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  344alpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  345alpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  346alpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  347alpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  348alpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  349alpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  350alpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  351alpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  352alpv                     5.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  353appv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  354appv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  355appv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  356appv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  357appv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  358hem                      5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  359hem                      5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  360hem                      5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  361hem                      5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  362hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  363hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  364hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  365hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  366hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  367hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  368hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  369hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  370hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  371hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  372hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  373hepv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  374hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  375hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  376hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  377hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  378hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  379hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  380hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  381hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  382hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  383hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  384hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  385hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  386hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  387hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  388hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  389hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  390hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  391hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  392hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  393hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  394hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  395hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  396hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  397hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  398hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  399hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  400hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  401hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  402hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  403hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  404hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  405hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  406hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  407hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  408hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  409hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  410hppv                     5.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  411fea                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  412feg                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  413fea                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  414feg                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  415feg                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  416fea                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  417feg                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  418feg                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  419feg                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  420feg                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  421feg                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  422feg                      1.00000  3000.00000  F
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Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  423feg                      1.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  424feg                      1.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  425feg                      1.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  426fee                      1.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  427fee                      1.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  428fee                      1.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  429fee                      1.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  430fee                      1.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  431fee                      1.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  432fee                      1.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  433mgpvalpv                20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   3   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  434mppvappv                20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   3   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  435wucost                  80.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   4   0   0   0   0   0   0   0   0  12   0   0   0   0   0   0   0   0   0   0   0   0   0   0   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  436jdcen                   20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  437jdcen                   20.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  438pynamj                  40.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  439pynamj                  40.00000  3000.00000  F
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0****   0   0   0****   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  440pycapvgrmgmj           140.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 -12   0   0   0   0  -4   0   4   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0  46   0  30  24   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  441mgc2pymgmj              20.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0   0  72   0   0  28   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  442endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 984   0   0  16 931   0  69   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  443endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 989   0   0  11 940   0  60   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  444endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 975   0   0  25 910   0  90   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  445endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 973   0   0  27 879   0 121   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  446endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 945   0   0  55 863   0 127   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  447endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 898   0   0 102 564   0 436   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  448endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 891   0   0 109 555   0 445   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  449endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 984   0   0  16 931   0  69   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  450endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 989   0   0  11 940   0  60   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  451endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 975   0   0  25 910   0  90   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  452endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 973   0   0  27 879   0 121   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  453endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 945   0   0  55 863   0 127   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  454endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 898   0   0 102 564   0 436   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  455endiodicen              10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 891   0   0 109 555   0 445   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  456heendifs                90.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 875 125   0   0 920  80   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  457fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 706 294   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 196 804   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  458fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 983  17   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 965  35   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  459fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 937  63   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 788 212   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  460fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 949  51   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 849 151   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  461fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 920  80   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 733 267   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  462fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 977  63   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 827 173   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  463fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 887 113   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 572 428   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  464fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 870 130   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 531 469   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  465fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 797 203   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 304 696   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  466fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 913  87   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 713 287   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  467fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 899 101   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 617 383   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  468fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 754 246   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 239 761   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  469fowufape                66.00000  3000.00000  T
   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 748 252   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 217 783   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  470foalfapy               183.00000  3000.00000  T
   0   0   0   0  -3   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 190 810   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 172 828   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  471foalfapy               183.00000  3000.00000  T
   0   0   0   0  -3   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 204 796   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 193 807   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  472foalfapy               183.00000  3000.00000  T
   0   0   0   0  -3   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 530 470   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 470 530   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  473foalfapy               183.00000  3000.00000  T
   0   0   0   0  -3   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 558 442   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 486 514   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  474foalfapy               183.00000  3000.00000  T
   0   0   0   0  -3   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 453 547   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 410 590   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  475foalfapy               183.00000  3000.00000  T
   0   0   0   0  -3   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 401 599   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 372 628   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  476foalfapy               183.00000  3000.00000  T
   0   0   0   0  -3   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0  95 905   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  95 905   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  477foalfapy               183.00000  3000.00000  T
   0   0   0   0  -3   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 135 865   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 111 889   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  478foalfapy               183.00000  3000.00000  T
   0   0   0   0  -3   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 688 312   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 623 377   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  479foalfapy               183.00000  3000.00000  T
   0   0   0   0  -3   3   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 745 255   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 665 335   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  480mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 873 127   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 828 172   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  481mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 859 141   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 804 196   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  482mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 773 227   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 640 360   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  483mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 770 230   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 632 368   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  484mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 883 117   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 833 167   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  485mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 881 119   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 832 168   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  486mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 853 147   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 795 205   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  487mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 898 102   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 862 138   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  488mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 897 103   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 861 139   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  489mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 880 120   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 845 155   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  490mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 703 297   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 510 490   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  491mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 544 456   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 285 715   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  492mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 255 745   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  82 918   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  493mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 637 363   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 413 587   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  494mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 540 460   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 283 717   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  495mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 520 480   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 263 737   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  496mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 500 500   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 242 758   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  497mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 779 221   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 662 338   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  498mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 646 354   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 426 574   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  499mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 469 531   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 212 788   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  500mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 888 112   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 850 150   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  501mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 839 161   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 771 229   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  502mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 846 154   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 768 232   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  503mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 896 104   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 862 138   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  504mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 877 123   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 835 165   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  505mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 850 150   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 795 205   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  506mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 851 149   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 784 216   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  507mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 747 253   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 614 386   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  508mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 770 230   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 646 354   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  509mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 568 432   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 319 681   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  510mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 602 398   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 365 635   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  511mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 706 294   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 537 463   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  512mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 803 197   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 710 290   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  513mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 716 284   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 504 496   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  514mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 484 516   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 217 783   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  515mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 546 454   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 271 729   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  516mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 253 747   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  79 921   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  517mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 500 500   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 230 770   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  518mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 455 545   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 187 813   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  519mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 556 444   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 271 729   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  520mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 851 149   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 799 201   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  521mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 822 178   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 739 261   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  522mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 792 208   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 706 294   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  523mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 868 132   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 817 183   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  524mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 869 131   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 821 179   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  525mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 657 343   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 444 556   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  526mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 772 228   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 642 358   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  527mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 788 212   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 690 310   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  528mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 785 215   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 677 323   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  529mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 682 318   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 487 513   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  530mgriwuferipe            66.00000  3000.00000  T
   0   0   0   0   0   0   0   0  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0 621 379   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 380 620   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  531pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 876 124   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 735 265   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  532pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 812 188   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 578 422   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  533pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 885 115   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 760 240   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  534pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 906  94   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 808 192   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  535pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 927  73   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 857 143   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  536pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 920  80   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 839 161   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  537pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 745 255   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 449 551   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  538pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 805 195   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 576 424   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  539pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 816 184   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 600 400   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  540pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 746 254   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 449 551   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  541pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 755 245   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 451 549   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  542pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 714 286   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 384 616   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  543pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 748 252   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 442 558   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  544pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 720 280   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 390 610   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  545pefewawumgwa            66.00000  3000.00000  T
   0   0   0   0   0   0   2  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 750 250   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 447 553   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  546fofewafamgwa            21.00000  3000.00000  T
   0   0   0   0   0   1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0 810 190 700 300   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  547mgwaferifewamgri        21.00000  3000.00000  T
   0   0   0   0   0   0   0   1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0 700 300 590 410   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  548mgpvwufepvpe            84.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -4   4   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 951  49   0   0   0   0   0   0   0   0   0   0 849 151   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  549mgpvwufepvpe            84.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -4   4   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 931  69   0   0   0   0   0   0   0   0   0   0 804 196   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  550mgilfepvfeilmgpv        30.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  90  10   0   0   0   0   0   0   0   0   0   0   0  90  10   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  551mgilfepvfeilmgpv        30.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  90  10   0   0   0   0   0   0   0   0   0   0   0  90  10   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  552fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  91   9  92   8   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  553fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  84  16  86  14   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  554fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  80  20  81  19   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  555fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  71  29  72  28   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  556fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  71  29  72  28   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  557fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  62  38  63  37   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  558fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  59  41  60  40   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  559fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  54  46  53  47   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  560fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  53  47  52  48   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  561fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  53  47  53  47   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  562fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  52  48  52  48   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  563fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  51  49  52  48   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  564fohcfasp               126.00000  3000.00000  T
   0   0   1  -1  -2   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0  48  52  46  54   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 4 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  565mgtsencopy             240.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -6   0   0   0   0   0   0   0   0   0   0   0   0   0  -4   0   4   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0  88   0  12   0   0   0   0   0   0   0   0   0   0   0 100   0 100   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  566mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 929   0  71   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  567mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 931   0  69   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  568mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 940   0  60   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  569mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 962   0  38   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  570mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 969   0  31   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  571mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 855   0 145   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  572mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 860   0 140   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  573mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 895   0 105   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  574mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 900   0 100   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  575mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 900   0 100   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  576mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 912   0  88   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  577mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 935   0  65   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  578mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 935   0  65   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  579mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 944   0  56   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  580mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 958   0  42   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  581mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 968   0  32   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  582mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 809   0 191   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  583mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 872   0 128   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  584mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 905   0  95   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  585mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 922   0  78   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  586mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 938   0  62   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  587mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 815   0 185   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  588mgtsenpy                60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 882   0 118   0   0   0   0   0   0   0   0   0   0   0   0   01000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  589enspmgtsfo             204.00000  3000.00000  T
   0   0  -1   0   4   0   0   0   0   0  -4   0   4   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0 100   0 100   0   0   0   0   0 789   0 211   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  590enspmgtsfo             204.00000  3000.00000  T
   0   0  -1   0   4   0   0   0   0   0  -4   0   4   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0 100   0 100   0   0   0   0   0 794   0 206   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  591enspmgtsfo             204.00000  3000.00000  T
   0   0  -1   0   4   0   0   0   0   0  -4   0   4   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0 100   0 100   0   0   0   0   0 791   0 209   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  592enspmgtsfo             204.00000  3000.00000  T
   0   0  -1   0   4   0   0   0   0   0  -4   0   4   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0 100   0 100   0   0   0   0   0 797   0 203   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  593enspmgtsfo             204.00000  3000.00000  T
   0   0  -1   0   4   0   0   0   0   0  -4   0   4   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0 100   0 100   0   0   0   0   0 820   0 180   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  594enspmgtsfo             204.00000  3000.00000  T
   0   0  -1   0   4   0   0   0   0   0  -4   0   4   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0 100   0 100   0   0   0   0   0 824   0 176   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  595mgtsdicencatsenodi      20.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   1   0  -1   0  -1   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 742   0 194  64 358   0 444 198   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 1 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  596mgtsdicencatsenodi      10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 742   0 194  64 358   0 444 198   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 1 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  597mgtsdicencatsenodi      10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 742   0 194  64 358   0 444 198   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 1 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  598mgtsdicencatsenodi      20.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   1   0  -1   0  -1   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 955   0  29  16 918   0  59  23   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 1 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  599mgtsdicencatsenodi      10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 955   0  29  16 918   0  59  23   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 1 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  600mgtsdicencatsenodi      10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0 955   0  29  16 918   0  59  23   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 1 0 2 1 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  601grpycendicats           30.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0  -1   1   0   0   0   0   0   0   0   0   0   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0 918   0  59  23   0   0   0   0   0   0   0   0 860   0 140   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 2 0 0 0 0 0 0 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  602grpycodicatscen         40.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   3   0   0   0   0   0   0   0   0   0   2   0  -1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0 460   0  40 500   0   0   0   0   0   0 100   0 360   0 640   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 2 0 0 0 0 0 0 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  603mppvwulsfppvpe          84.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -4   4   0   0   0   1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 949  51   0   0   0 851   0 149   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  604mppvwulsfppvpe          84.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -4   4   0   0   0   1   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 900 100   0   0   0 899   0 101   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  605jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 925   0   0   0  75   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  606jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 855   0   0   0 145   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  607jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 890   0   0   0 110   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  608jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 790   0   0   0 210   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  609jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 800   0   0   0 200   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  610jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 800   0   0   0 200   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  611jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 850   0   0   0 150   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  612jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 785   0   0   0 215   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  613jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 885   0   0   0 115   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  614jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 800   0   0   0 200   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  615jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 780   0   0   0 220   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  616jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 860   0   0   0 140   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  617jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 760   0   0   0 240   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  618jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 850   0   0   0 150   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  619jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 500   0   0   0 500   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  620jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 750   0   0   0 250   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  621jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 500   0   0   0 500   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  622jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 430   0   0   0 570   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  623jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 320   0   0   0 680   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  624jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 170   0   0   0 830   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  625jddiqtzab               78.00000  3000.00000  T
   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   02000   0   0   0   0   0   0   0   0   0   0   0   0 925   0   0   0  75   0   0   0   0   0   0   0   0   0   0   0   02000   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  626mgc2cenjd               10.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  49   0  51 100   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  627mgc2mgmjnamjpy          20.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0   0  40   0   0  30  40   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  628mnalnacfnnalmgcf        63.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -3   0   0   0   1   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  30   0  70   0  71   0  29   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 2 0 2 0 0 0 0 0
  629mnalnnalnacfmgcf        63.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   1   0  -1   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  30   0  70   0  71   0  29   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 2 0 2 0 0 0 0 0
  630mnalmgcfnacf            63.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   2   0   1   0  -1   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  90   0  10   0 100   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0
  631fnalmgcfmnalfecf       105.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   2   0   0   1  -1   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  60  40   0   0  60  40   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 2 2 0 0 0 0 0 0
  632fnalmgcfmnalfecf       105.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -2   2   0   0   1  -1   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  60  40   0   0  60  40   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 2 2 0 0 0 0 0 0
  633fepvmgcfmgpvfecf        36.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  65  35   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  60  40   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0
  634fepvmgcfmgpvfecf        36.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  65  35   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  60  40   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0
  635mgilcomgpvalpv          15.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 322   0 678   0   0   0   0   0   0   0   0   0   0 808   0 192   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  636mgilcomgpvalpv          15.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 322   0 678   0   0   0   0   0   0   0   0   0   0 808   0 192   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  637pewulspewu              24.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 900  50  50   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  638pewulspewu              24.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 520 240 240   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  639pewulspewu              24.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 520 384  96   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  640pewulspewu              24.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 520  96 384   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  641pewulspewu              24.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 750 125 125   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  642mgpvflpvmgpvfepv        15.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 610 317   0   0   0   0  73   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  643mgpvflpvmgpvfepv        15.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 260 469   0   0   0   0 271   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  644mgpvflpvmgpvfepv        15.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 260 370   0   0   0   0 370   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  645mgpvflpvmgpvfepv        15.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0  -1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 260 469   0   0   0   0 271   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  646fepvmgpvhepvfegst       45.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   3   0   0  -3   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   01000   0 913  82   0   5   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   01000   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  647mgpvhepvmgpvhlpv        15.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 500   0   0 500 500   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  648mgpvhepvmgpvhlpv        15.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 500   0   0 500 500   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  649hppvlppv                15.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100 100   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  650hppvlppv                15.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  -1   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100 100   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  651hmagmag                 21.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0  -1   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0 100   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  652hmagmag                 21.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0  -1   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0 100   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  653magfegwu                24.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0  -1   0   0   0   0   0   0   0   0   0   0  -1   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 813   0   0 187   0   0   0   0   0   0   0   0   0   01000   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  654magfegwupe              24.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   1   0   0  -1   0   0   0   0   0   0   0   0   0   0  -1   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 649 327   0   0  24   0   0   0   0   0   0   0   0   0   01000   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0
  655fepvmgpvwupest          60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   4   0   0  -4   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   01000   0 817 183   0   0   0   0   0   0   0   0   0   0 365 635   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  656fepvmgpvwupest          60.00000  3000.00000  T
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   4   0  -4   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   01000   0 817 183   0   0   0   0   0   0   0   0   0   0 365 635   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0
Stoich 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
  
 References to phase equilibrium data
fo                   &       4 &      12.00 &      13.90 &       1063 &       1876 &                 \protect\cite{morishimaetal_94} \nl 
mgwa                 &      17 &      14.88 &      18.08 &       1023 &       1773 &                   \protect\cite{suzukietal_00b} \nl 
                          &    &      12.10 &      14.30 &       1025 &       1624 &                 \protect\cite{morishimaetal_94} \nl 
                          &    &      21.56 &      22.46 &       2173 &       2173 &                      \protect\cite{feietal_04a} \nl 
mgri                 &      11 &      14.98 &      19.50 &        923 &       1273 &                   \protect\cite{suzukietal_00b} \nl 
                          &    &      22.49 &      24.61 &       1544 &       2383 &                        \protect\cite{yeetal_17} \nl 
mgpvpe               &       2 &      22.49 &      24.61 &       1544 &       2383 &                        \protect\cite{yeetal_17} \nl 
en                   &      12 &       0.00 &       0.00 &        823 &        823 &                        \protect\cite{grover_72} \nl 
                          &    &       0.00 &       0.00 &       1360 &       1360 &                     \protect\cite{yangghose_95} \nl 
                          &    &       0.83 &       0.83 &       1823 &       1823 &                      \protect\cite{boydetal_64} \nl 
                          &    &       7.70 &      10.30 &       1273 &       1973 &                \protect\cite{pacalogasparik_90} \nl 
                          &    &       0.00 &      10.60 &       1830 &       2353 &                  \protect\cite{presnalletal_98} \nl 
mgc2                 &      15 &       8.20 &      14.20 &       1223 &       1973 &                \protect\cite{pacalogasparik_90} \nl 
                          &    &      14.50 &      15.50 &       1273 &       1673 &                  \protect\cite{itonavrotsky_85} \nl 
                          &    &      11.80 &      14.90 &       2373 &       2463 &                  \protect\cite{presnalletal_98} \nl 
mgmj                 &       2 &      16.50 &      16.50 &       2473 &       2473 &                  \protect\cite{presnalletal_98} \nl 
                          &    &      21.20 &      21.20 &       2273 &       2273 &                   \protect\cite{hiroseetal_01b} \nl 
mgil                 &       3 &      20.00 &      20.00 &       1273 &       1873 &                  \protect\cite{itonavrotsky_85} \nl 
                          &    &      22.13 &      22.13 &       1873 &       1873 &                      \protect\cite{feietal_04a} \nl 
mgpv                 &      16 &      21.56 &      24.56 &       1673 &       2173 &                      \protect\cite{feietal_04a} \nl 
                          &    &      21.54 &      21.54 &       2273 &       2273 &                   \protect\cite{hiroseetal_01b} \nl 
                          &    &     119.00 &     149.30 &       2170 &       4200 &                    \protect\cite{tatenoetal_09} \nl 
                          &    &      25.00 &      25.00 &       2900 &       2900 &                 \protect\cite{stixrudekarki_05} \nl 
mgwast               &       5 &      16.00 &      18.00 &       1273 &       1873 &                  \protect\cite{itonavrotsky_85} \nl 
mgrist               &       2 &      19.10 &      19.10 &       1373 &       1673 &                  \protect\cite{itonavrotsky_85} \nl 
fs                   &       8 &       5.00 &       7.00 &       1173 &       1578 &                 \protect\cite{woodlandangel_97} \nl 
                          &    &       1.35 &       1.53 &       1173 &       1323 &                    \protect\cite{bohlenetal_80} \nl 
fec2                 &      10 &       5.50 &       7.50 &       1173 &       1568 &                 \protect\cite{woodlandangel_97} \nl 
                          &    &       8.30 &       9.40 &       1063 &       1483 &                  \protect\cite{akimotosyono_70} \nl 
ferist               &       3 &       9.40 &       9.80 &       1063 &       1423 &                  \protect\cite{akimotosyono_70} \nl 
wust                 &       4 &      17.40 &      19.80 &       1473 &       1873 &                   \protect\cite{katsuraetal_98} \nl 
wuwulsapbo           &       1 &     149.00 &     149.00 &       2000 &       2000 &                    \protect\cite{fujinoetal_09} \nl 
wuwulsst             &       1 &     117.00 &     117.00 &       2000 &       2000 &                    \protect\cite{fujinoetal_09} \nl 
fa                   &       5 &       4.18 &       5.56 &       1073 &       1473 &                      \protect\cite{yagietal_87} \nl 
feri                 &      18 &       4.32 &       6.28 &        773 &       1473 &                      \protect\cite{yagietal_87} \nl 
                          &    &      14.80 &      17.20 &       1273 &       1673 &                   \protect\cite{katsuraetal_98} \nl 
di                   &       8 &       0.00 &       0.00 &       1665 &       1665 &                   \protect\cite{boydengland_63} \nl 
                          &    &      14.00 &      14.00 &       2400 &       2400 &                     \protect\cite{gasparik_96a} \nl 
                          &    &      16.50 &      17.50 &       1273 &       2073 &                    \protect\cite{akaogietal_04} \nl 
capvmgwast           &       4 &      17.50 &      19.00 &       1273 &       1673 &                    \protect\cite{akaogietal_04} \nl 
capvmgrist           &       4 &      19.00 &      20.50 &       1473 &       1673 &                    \protect\cite{akaogietal_04} \nl 
capvmgil             &       6 &      20.50 &      22.50 &       1473 &       2073 &                    \protect\cite{akaogietal_04} \nl 
capvmgpv             &       3 &      22.30 &      23.00 &       1873 &       2073 &                    \protect\cite{akaogietal_04} \nl 
capvco               &       2 &      24.27 &      26.16 &       1673 &       1873 &                  \protect\cite{takafujietal_02} \nl 
st                   &      27 &     101.00 &     127.00 &        800 &       3000 &                  \protect\cite{murakamietal_03} \nl 
                          &    &       7.71 &      11.36 &        800 &       1803 &                     \protect\cite{zhangetal_96} \nl 
apbo                 &       4 &     124.00 &     151.00 &       2040 &       2420 &                  \protect\cite{murakamietal_03} \nl 
mppv                 &       8 &     136.10 &     171.00 &       1640 &       4380 &                    \protect\cite{tatenoetal_09} \nl 
peco                 &       4 &      20.00 &      27.00 &       1473 &       1873 &                    \protect\cite{akaogietal_99} \nl 
                          &    &      45.00 &      45.00 &          1 &          1 &                       \protect\cite{onoetal_08} \nl 
mgcf                 &       4 &      27.00 &      27.00 &       1873 &       2173 &                    \protect\cite{akaogietal_99} \nl 
                          &    &      45.00 &      45.00 &          1 &          1 &                       \protect\cite{onoetal_08} \nl 
jdst                 &       3 &      22.00 &      22.00 &       1073 &       1473 &                      \protect\cite{yagietal_94} \nl 
nacfst               &       2 &      23.00 &      23.00 &       1273 &       1473 &                      \protect\cite{yagietal_94} \nl 
ab                   &      12 &       1.60 &       3.30 &        873 &       1473 &                       \protect\cite{holland_80} \nl 
jdqtz                &       1 &       1.65 &       1.65 &        873 &        873 &                       \protect\cite{holland_80} \nl 
coes                 &      16 &       7.91 &       8.62 &       1258 &       1507 &                     \protect\cite{zhangetal_96} \nl 
                          &    &       2.48 &       2.98 &        673 &       1273 &               \protect\cite{bohlenboettcher_82} \nl 
qtz                  &      11 &       2.46 &       2.95 &        673 &       1273 &               \protect\cite{bohlenboettcher_82} \nl 
cats                 &       3 &       1.72 &       2.85 &       1573 &       1773 &                     \protect\cite{gasparik_84a} \nl 
grco                 &       3 &       1.77 &       2.88 &       1573 &       1773 &                     \protect\cite{gasparik_84a} \nl 
faqtz                &       4 &       1.10 &       1.40 &       1073 &       1273 &                    \protect\cite{bohlenetal_80} \nl 
ky                   &       4 &       0.75 &       0.82 &       1073 &       1073 &                   \protect\cite{harlovmilke_02} \nl 
qtzco                &       2 &       0.70 &       0.75 &       1073 &       1073 &                   \protect\cite{harlovmilke_02} \nl 
grkyqtz              &      24 &       2.20 &       3.10 &       1373 &       1673 &                     \protect\cite{goldsmith_80} \nl 
an                   &       1 &       3.00 &       3.00 &       1673 &       1673 &                     \protect\cite{goldsmith_80} \nl 
jd                   &       1 &       2.38 &       2.38 &       1473 &       1473 &                     \protect\cite{gasparik_85a} \nl 
nephab               &       1 &       2.33 &       2.33 &       1473 &       1473 &                     \protect\cite{gasparik_85a} \nl 
jdanao               &       6 &      16.00 &      19.00 &       1273 &       1873 &                    \protect\cite{akaogietal_02} \nl 
nacf                 &       6 &      18.00 &      27.00 &       1273 &       1873 &                    \protect\cite{akaogietal_02} \nl 
spjdanao             &      16 &      12.00 &      30.00 &       1273 &       1873 &                       \protect\cite{onoetal_09} \nl 
mnalnnal             &       6 &      14.50 &      23.00 &       1273 &       1873 &                       \protect\cite{onoetal_09} \nl 
                          &    &      47.00 &      47.00 &       1800 &       1800 &                     \protect\cite{imadaetal_11} \nl 
mgcfnacf             &       1 &      24.00 &      24.00 &       1873 &       1873 &                       \protect\cite{onoetal_09} \nl 
co                   &       5 &      96.90 &     106.40 &       1600 &       3000 &                      \protect\cite{katoetal_13} \nl 
alpv                 &      11 &      99.90 &     169.70 &       1670 &       3540 &                      \protect\cite{katoetal_13} \nl 
appv                 &       5 &     148.90 &     186.00 &       2590 &       3510 &                      \protect\cite{katoetal_13} \nl 
hem                  &       4 &      22.60 &      32.40 &        578 &       1115 &                       \protect\cite{itoetal_09} \nl 
hepv                 &      12 &      26.40 &      43.90 &        545 &       1358 &                       \protect\cite{itoetal_09} \nl 
                          &    &      41.10 &      45.70 &        300 &       1897 &                    \protect\cite{bykovaetal_16} \nl 
hppv                 &      37 &      48.90 &      75.10 &        300 &       2830 &                    \protect\cite{bykovaetal_16} \nl 
fea                  &      14 &       0.00 &       0.00 &       1185 &       1667 &                \protect\cite{robiehemingway_95} \nl 
                          &    &       5.20 &       5.20 &       1991 &       1991 &                    \protect\cite{strongetal_73} \nl 
                          &    &      22.10 &      67.40 &       1168 &       2350 &               \protect\cite{komabayashietal_09} \nl 
feg                  &       1 &       0.00 &       0.00 &       1185 &       1185 &                \protect\cite{robiehemingway_95} \nl 
fee                  &       7 &      22.10 &      67.30 &       1093 &       2325 &               \protect\cite{komabayashietal_09} \nl 
mgpvalpv             &       1 &     137.00 &     137.00 &       2000 &       2000 &                    \protect\cite{tatenoetal_05} \nl 
mppvappv             &       1 &     175.00 &     175.00 &       2000 &       2000 &                    \protect\cite{tatenoetal_05} \nl 
wucost               &       1 &      35.00 &      35.00 &       2000 &       2000 &                  \protect\cite{dorfmanetal_12a} \nl 
jdcen                &       2 &      13.50 &      13.50 &       1823 &       2373 &                      \protect\cite{gasparik_92} \nl 
pynamj               &       2 &      13.50 &      13.50 &       1823 &       2373 &                      \protect\cite{gasparik_92} \nl 
pycapvgrmgmj         &       1 &      19.90 &      19.90 &       1873 &       1873 &                    \protect\cite{saikiaetal_08} \nl 
mgc2pymgmj           &       1 &      12.50 &      12.50 &       1923 &       1923 &                      \protect\cite{gasparik_89} \nl 
endiodicen           &      14 &       3.00 &       3.00 &       1173 &       1773 &               \protect\cite{carlsonlindsley_88} \nl 
heendifs             &       1 &       1.50 &       1.50 &       1263 &       1263 &                      \protect\cite{lindsley_83} \nl 
fowufape             &      13 &      11.00 &      11.00 &       1673 &       1673 &                        \protect\cite{frost_03b} \nl 
foalfapy             &      10 &       0.91 &       0.91 &       1273 &       1273 &                   \protect\cite{hacklerwood_89} \nl 
mgriwuferipe         &      51 &      11.00 &      23.50 &       1273 &       1873 &                     \protect\cite{frostetal_01} \nl 
pefewawumgwa         &      15 &      13.00 &      14.50 &       1673 &       1673 &                        \protect\cite{frost_03b} \nl 
fofewafamgwa         &       1 &      12.87 &      12.87 &       1673 &       1673 &                        \protect\cite{frost_03b} \nl 
mgwaferifewamgri     &       1 &      12.87 &      12.87 &       1673 &       1673 &                        \protect\cite{frost_03b} \nl 
mgpvwufepvpe         &       2 &      25.00 &      25.00 &       2000 &       2541 &                  \protect\cite{nakajimaetal_12} \nl 
mgilfepvfeilmgpv     &       2 &      25.50 &      25.50 &       1373 &       1373 &                     \protect\cite{itoyamada_82} \nl 
                          &    &      24.00 &      24.00 &       2073 &       2073 &                    \protect\cite{ohtanietal_91} \nl 
fohcfasp             &      13 &       0.00 &       0.00 &       1573 &       1573 &                \protect\cite{jamiesonroeder_84} \nl 
mgtsencopy           &       1 &       1.65 &       1.65 &       1123 &       1123 &                \protect\cite{gaspariknewton_84} \nl 
mgtsenpy             &      23 &       2.07 &       4.01 &       1173 &       1773 &                   \protect\cite{perkinsetal_81} \nl 
enspmgtsfo           &       6 &       0.99 &       2.56 &       1573 &       1773 &                \protect\cite{gaspariknewton_84} \nl 
mgtsdicencatsenodi   &       6 &       2.70 &       2.70 &       1773 &       1773 &                 \protect\cite{klemmeo'Neill_00} \nl 
                          &    &       2.50 &       2.50 &       1173 &       1173 &                 \protect\cite{perkinsnewton_80} \nl 
grpycendicats        &       1 &       2.50 &       2.50 &       1173 &       1173 &                 \protect\cite{perkinsnewton_80} \nl 
grpycodicatscen      &       1 &       3.25 &       3.25 &       1573 &       1573 &                     \protect\cite{gasparik_84a} \nl 
mppvwulsfppvpe       &       2 &     121.50 &     121.50 &       2140 &       4000 &                    \protect\cite{sinmyoetal_08} \nl 
jddiqtzab            &      21 &       0.85 &       1.60 &        873 &        873 &                       \protect\cite{holland_83} \nl 
mgc2cenjd            &       1 &      13.50 &      13.50 &       1923 &       1923 &                      \protect\cite{gasparik_92} \nl 
mgc2mgmjnamjpy       &       1 &      14.00 &      14.00 &       1923 &       1923 &                      \protect\cite{gasparik_92} \nl 
mnalnacfnnalmgcf     &       1 &      23.00 &      23.00 &       1873 &       1873 &                       \protect\cite{onoetal_09} \nl 
mnalnnalnacfmgcf     &       1 &      23.00 &      23.00 &       1873 &       1873 &                       \protect\cite{onoetal_09} \nl 
mnalmgcfnacf         &       1 &      25.00 &      25.00 &       1873 &       1873 &                       \protect\cite{onoetal_09} \nl 
fnalmgcfmnalfecf     &       2 &      23.00 &      23.00 &       1673 &       2073 &                         \protect\cite{thiswork} \nl 
fepvmgcfmgpvfecf     &       2 &      60.00 &      60.00 &       2000 &       2400 &                    \protect\cite{hiroseetal_05} \nl 
mgilcomgpvalpv       &       2 &      27.00 &      27.00 &       2300 &       2300 &                       \protect\cite{liuetal_17} \nl 
pewulspewu           &       5 &      52.10 &      78.00 &        300 &        300 &                \protect\cite{solomatovaetal_16} \nl 
                          &    &      95.00 &      95.00 &       2000 &       2000 &                       \protect\cite{maoetal_11} \nl 
mgpvflpvmgpvfepv     &       4 &     533.00 &     572.00 &        300 &        300 &                   \protect\cite{dorfmanetal_15} \nl 
                          &    &     540.00 &     540.00 &       2000 &       2000 &                       \protect\cite{Artificial} \nl 
fepvmgpvhepvfegst    &       1 &      26.00 &      26.00 &       1973 &       1973 &                \protect\cite{lauterbachetal_00} \nl 
mgpvhepvmgpvhlpv     &       2 &      48.50 &      48.50 &        300 &        300 &                       \protect\cite{liuetal_18} \nl 
                          &    &      76.00 &      76.00 &       2000 &       2000 &                  \protect\cite{tsuchiyawang_13} \nl 
hppvlppv             &       2 &     200.00 &     227.00 &        300 &       2000 &                    \protect\cite{bykovaetal_09} \nl 
hmagmag              &       2 &       9.61 &      10.51 &       1073 &       1673 &             \protect\cite{schollenbruchetal_11} \nl 
magfegwu             &       1 &       0.00 &       0.00 &       1473 &       1473 &                   \protect\cite{darkengurry_45} \nl 
magfegwupe           &       1 &       0.00 &       0.00 &       1473 &       1473 &                    \protect\cite{oneilletal_03} \nl 
fepvmgpvwupest       &       2 &      22.00 &      22.00 &       2273 &       2273 &                    \protect\cite{tangeetal_09a} \nl 
  
 in main after redexpmgri                                                                               7.0000000000000000        39.493000000000002        2.0000000000000000     
 Bulk Composition
   3.7825099999999998        4.8722500000000002       0.60285000000000000       0.28725000000000001       0.43386000000000002        2.1270000000000001E-002   2.1270000000000001E-002
an   100.61  84.09   6.73 752.35   0.38   1.00  39.90   1.09   1.63
 After Vo block
 Changed Ko adiab   84.093306637535932        84.093310000000002     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.97274001829552703     
 Changed Kop compress   6.7340435101370320        6.7340400000000002     
 Changed theta cal   752.34536169238186        752.34537000000000       -0.0000000000000000        530.35915263396157        530.35915621458435       -3.5806227742796182E-006   0.0000000000000000        1000.0000000000000      an                                                                              
 gaminv  0.38396999995250253        1273.0000000000000        102.02891085668342        102.02891085668342        100.61000000000000        100.60233632552601        1.0141803320207330        1.0142194501096582       -3.9118088925205186E-005
 gaminv  0.38597000004749743        1273.0000000000000        102.03673827809112        102.03673827809112        100.61000000000000        100.60229642058101        1.0142585398996584        1.0142194501096582        3.9089790000224056E-005
 gaminv  0.38396999995250253        1273.0000000000000        102.02891085668342        102.02891085668342        100.61000000000000        100.60233632552601        1.0141803320207330        1.0142194501096582       -3.9118088925205186E-005
 gaminv  0.38597000004749743        1273.0000000000000        102.03673827809112        102.03673827809112        100.61000000000000        100.60229642058101        1.0142585398996584        1.0142194501096582        3.9089790000224056E-005
 gaminv  0.38497036184239636        1273.0000000000000        102.03282535871233        102.03282535871233        100.61000000000000        100.60231636581598        1.0142194438912784        1.0142194501096582       -6.2183798110737598E-009
 gaminv  0.38497052083893568        1273.0000000000000        102.03282598097884        102.03282598097884        100.61000000000000        100.60231636264363        1.0142194501086697        1.0142194501096582       -9.8854258112623938E-013
 gaminv  0.38497054393766611        1273.0000000000000        102.03282607138060        102.03282607138060        100.61000000000000        100.60231636218273        1.0142194510119213        1.0142194501096582        9.0226315307972982E-010
 Changed gamma  0.38497052083893568       0.38496999999999998     
 q will not be changed intraphase
 before goinv   39.899999999999999        9.9999997764825821E-003   38.900000022351740        40.899999977648257     
 Changed Go   39.899999999999999        39.899999999999999     
 Changed Gop default   1.0912877821890432     
 Changed eta systematics   1.6332329877444292        1.6332300000000000       -4.1895001664757725        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: an             1
 Theta   8.3076181454089237E-006
 Vo   0.0000000000000000        100.61000000000000        100.61000000000000     
 Gamma   5.2083893570253892E-007
 q   0.0000000000000000     
 eta   2.9877444291948052E-006
 Ko   3.3624640707330400E-006
 Kop   3.5101370317036640E-006
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
an   100.61  84.09   6.73 752.35   0.38   1.00  39.90   1.09   1.63
 After Vo block
 Changed Ko adiab   84.093306348185024        84.093306637535932     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.97274001829552703     
 Changed Kop compress   6.7340437662471304        6.7340435101370320     
 Changed theta cal   752.34536911403779        752.34536169238186       -0.0000000000000000        530.35915941335315        530.35915621458435        3.1987688089429867E-006   0.0000000000000000        1000.0000000000000      an                                                                              
 gaminv  0.38397052079143823        1273.0000000000000        102.02891290039268        102.02891290039268        100.61000000000000        100.60233631515044        1.0141803524400597        1.0142194501096582       -3.9097669598531226E-005
 gaminv  0.38597052088643313        1273.0000000000000        102.03674032315232        102.03674032315232        100.61000000000000        100.60229641020555        1.0142585603324383        1.0142194501096582        3.9110222780136539E-005
 gaminv  0.38397052079143823        1273.0000000000000        102.02891290039268        102.02891290039268        100.61000000000000        100.60233631515042        1.0141803524400599        1.0142194501096582       -3.9097669598309182E-005
 gaminv  0.38597052088643313        1273.0000000000000        102.03674032315232        102.03674032315232        100.61000000000000        100.60229641020555        1.0142585603324383        1.0142194501096582        3.9110222780136539E-005
 gaminv  0.38497036032850585        1273.0000000000000        102.03282535875942        102.03282535875942        100.61000000000000        100.60231636586268        1.0142194438912757        1.0142194501096582       -6.2183824756090189E-009
 gaminv  0.38497051935039117        1273.0000000000000        102.03282598112510        102.03282598112510        100.61000000000000        100.60231636268981        1.0142194501096580        1.0142194501096582       -2.2204460492503131E-016
 gaminv  0.38497054244912149        1273.0000000000000        102.03282607152687        102.03282607152687        100.61000000000000        100.60231636222895        1.0142194510129094        1.0142194501096582        9.0325125157164621E-010
 Changed gamma  0.38497051935039117       0.38497052083893568     
 q will not be changed intraphase
 before goinv   39.899999999999999        9.9999997764825821E-003   38.900000022351740        40.899999977648257     
 Changed Go   39.899999999999999        39.899999999999999     
 Changed Gop default   1.0912877859439807     
 Changed eta systematics   1.6332329913188228        1.6332329877444292       -4.1895001664757725        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: an             2
 Theta   7.4216559369233437E-006
 Vo   0.0000000000000000        100.61000000000000        100.61000000000000     
 Gamma   1.4885445098755667E-009
 q   0.0000000000000000     
 eta   3.5743936699361711E-009
 Ko   2.8935090767845395E-007
 Kop   2.5611009846215893E-007
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
an   100.61  84.09   6.73 752.35   0.38   1.00  39.90   1.09   1.63
 After Vo block
 Changed Ko adiab   84.093306349593107        84.093306348185024     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.97274001829552703     
 Changed Kop compress   6.7340437649996776        6.7340437662471304     
 Changed theta cal   752.34536929175022        752.34536911403779       -0.0000000000000000        530.35915629117926        530.35915621458435        7.6594915299210697E-008   0.0000000000000000        1000.0000000000000      an                                                                              
 gaminv  0.38397051930289372        1273.0000000000000        102.02891289448374        102.02891289448374        100.61000000000000        100.60233631518129        1.0141803523810129        1.0142194501096582       -3.9097728645298702E-005
 gaminv  0.38597051939788862        1273.0000000000000        102.03674031723908        102.03674031723908        100.61000000000000        100.60229641023642        1.0142585602733489        1.0142194501096582        3.9110163690736499E-005
 gaminv  0.38397051930289372        1273.0000000000000        102.02891289448374        102.02891289448374        100.61000000000000        100.60233631518130        1.0141803523810129        1.0142194501096582       -3.9097728645298702E-005
 gaminv  0.38597051939788862        1273.0000000000000        102.03674031723908        102.03674031723908        100.61000000000000        100.60229641023642        1.0142585602733489        1.0142194501096582        3.9110163690736499E-005
 gaminv  0.38497036035050436        1273.0000000000000        102.03282535876012        102.03282535876012        100.61000000000000        100.60231636586340        1.0142194438912753        1.0142194501096582       -6.2183829196982288E-009
 gaminv  0.38497051937240101        1273.0000000000000        102.03282598112590        102.03282598112590        100.61000000000000        100.60231636269052        1.0142194501096586        1.0142194501096582        4.4408920985006262E-016
 gaminv  0.38497049627367069        1273.0000000000000        102.03282589072414        102.03282589072414        100.61000000000000        100.60231636315139        1.0142194492064074        1.0142194501096582       -9.0325080748243636E-010
 Changed gamma  0.38497051937240101       0.38497051935039117     
 q will not be changed intraphase
 before goinv   39.899999999999999        9.9999997764825821E-003   38.900000022351740        40.899999977648257     
 Changed Go   39.899999999999999        39.899999999999999     
 Changed Gop default   1.0912877859257077     
 Changed eta systematics   1.6332329913830177        1.6332329913188228       -4.1895001664757725        300.00000000000000        1000.0000000000000        0.0000000000000000     
ab   100.45  59.75   2.78 720.00   0.58   1.00  36.00   1.39   1.03
 After Vo block
 Changed Ko adiab   59.752674435943405        59.752679999999998     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.93964128598523555     
 Changed Kop compress   2.7784153616152683        2.7784100000000000     
 gaminv  0.57784999995250252        1378.0000000000000        103.85399941068064        103.85399941068064        100.45200000000000        100.44484905828142        1.0339405194428748        1.0340034649411110       -6.2945498236155473E-005
 gaminv  0.57985000004749743        1378.0000000000000        103.86665248947639        103.86665248947639        100.45200000000000        100.44482431251186        1.0340667446071514        1.0340034649411110        6.3279666040472193E-005
 gaminv  0.57784999995250252        1378.0000000000000        103.85399941068064        103.85399941068064        100.45200000000000        100.44484905828142        1.0339405194428748        1.0340034649411110       -6.2945498236155473E-005
 gaminv  0.57985000004749743        1378.0000000000000        103.86665248947639        103.86665248947639        100.45200000000000        100.44482431251186        1.0340667446071514        1.0340034649411110        6.3279666040472193E-005
 gaminv  0.57884735260538489        1378.0000000000000        103.86030830787935        103.86030830787935        100.45200000000000        100.44483671814831        1.0340034560394078        1.0340034649411110       -8.9017031523752621E-009
 gaminv  0.57884749365032551        1378.0000000000000        103.86030920020499        103.86030920020499        100.45200000000000        100.44483671640316        1.0340034649411110        1.0340034649411110        0.0000000000000000     
 Changed gamma  0.57884749365032551       0.57884999999999998     
 q will not be changed intraphase
 before goinv   36.000000000000000        9.9999997764825821E-003   35.000000022351742        36.999999977648258     
 Changed Go   36.000000000000000        36.000000000000000     
 Changed Gop default   1.3857120047764595     
 Changed eta systematics   1.0297830021660590        1.0297799999999999       -3.7800001502037048        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: ab             1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        100.45200000000000        100.45200000000000     
 Gamma   2.5063496744692770E-006
 q   0.0000000000000000     
 eta   3.0021660590850985E-006
 Ko   5.5640565932435493E-006
 Kop   5.3616152682067764E-006
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
ab   100.45  59.75   2.78 720.00   0.58   1.00  36.00   1.39   1.03
 After Vo block
 Changed Ko adiab   59.752676577717629        59.752674435943405     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.93964128598523555     
 Changed Kop compress   2.7784142776495750        2.7784153616152683     
 gaminv  0.57784749360282806        1378.0000000000000        103.85398336443602        103.85398336443602        100.45200000000000        100.44484908954824        1.0339403593692342        1.0340034649411110       -6.3105571876720390E-005
 gaminv  0.57984749369782296        1378.0000000000000        103.86663643327203        103.86663643327203        100.45200000000000        100.44482434377953        1.0340665844342671        1.0340034649411110        6.3119493156182926E-005
 gaminv  0.57784749360282806        1378.0000000000000        103.85398336443602        103.85398336443602        100.45200000000000        100.44484908954824        1.0339403593692342        1.0340034649411110       -6.3105571876720390E-005
 gaminv  0.57984749369782296        1378.0000000000000        103.86663643327203        103.86663643327203        100.45200000000000        100.44482434377953        1.0340665844342671        1.0340034649411110        6.3119493156182926E-005
 gaminv  0.57884738336097752        1378.0000000000000        103.86030830774655        103.86030830774655        100.45200000000000        100.44483671802421        1.0340034560393632        1.0340034649411110       -8.9017477833408520E-009
 gaminv  0.57884752440663523        1378.0000000000000        103.86030920007668        103.86030920007668        100.45200000000000        100.44483671627911        1.0340034649411105        1.0340034649411110       -4.4408920985006262E-016
 gaminv  0.57884755913798547        1378.0000000000000        103.86030941980574        103.86030941980574        100.45200000000000        100.44483671584936        1.0340034671330940        1.0340034649411110        2.1919830395233930E-009
 Changed gamma  0.57884752440663523       0.57884749365032551     
 q will not be changed intraphase
 before goinv   36.000000000000000        9.9999997764825821E-003   35.000000022351742        36.999999977648258     
 Changed Go   36.000000000000000        36.000000000000000     
 Changed Gop default   1.3857119551070149     
 Changed eta systematics   1.0297829883913319        1.0297830021660590       -3.7800001502037048        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: ab             2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        100.45200000000000        100.45200000000000     
 Gamma   3.0756309721269304E-008
 q   0.0000000000000000     
 eta   1.3774727136706133E-008
 Ko   2.1417742246399030E-006
 Kop   1.0839656932049024E-006
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
ab   100.45  59.75   2.78 720.00   0.58   1.00  36.00   1.39   1.03
 After Vo block
 Changed Ko adiab   59.752676551435229        59.752676577717629     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.93964128598523555     
 Changed Kop compress   2.7784142909512846        2.7784142776495750     
 gaminv  0.57784752435913778        1378.0000000000000        103.85398356134512        103.85398356134512        100.45200000000000        100.44484908916456        1.0339403613335540        1.0340034649411110       -6.3103607556902475E-005
 gaminv  0.57984752445413268        1378.0000000000000        103.86663663030333        103.86663663030333        100.45200000000000        100.44482434339584        1.0340665863998046        1.0340034649411110        6.3121458693693455E-005
 gaminv  0.57784752435913778        1378.0000000000000        103.85398356134512        103.85398356134512        100.45200000000000        100.44484908916455        1.0339403613335543        1.0340034649411110       -6.3103607556680430E-005
 gaminv  0.57984752445413268        1378.0000000000000        103.86663663030333        103.86663663030333        100.45200000000000        100.44482434339584        1.0340665863998046        1.0340034649411110        6.3121458693693455E-005
 gaminv  0.57884738298355354        1378.0000000000000        103.86030830774811        103.86030830774811        100.45200000000000        100.44483671802574        1.0340034560393629        1.0340034649411110       -8.9017480053854570E-009
 gaminv  0.57884752402921469        1378.0000000000000        103.86030920007826        103.86030920007826        100.45200000000000        100.44483671628059        1.0340034649411110        1.0340034649411110        0.0000000000000000     
 Changed gamma  0.57884752402921469       0.57884752440663523     
 q will not be changed intraphase
 before goinv   36.000000000000000        9.9999997764825821E-003   35.000000022351742        36.999999977648258     
 Changed Go   36.000000000000000        36.000000000000000     
 Changed Gop default   1.3857119557165245     
 Changed eta systematics   1.0297829885603693        1.0297829883913319       -3.7800001502037048        300.00000000000000        1000.0000000000000        0.0000000000000000     
sp   159.05 195.14   4.63 856.37   0.98   4.05 109.00   0.63   2.44
 After Vo block
 Changed Ko adiab   195.13933307904301        195.13933000000000     
 Changed Kop adiabatic   4.6265916270582759        4.6265900000000002     
 gaminv  0.97417999995250260        2288.0000000000000        168.28090533799906        168.28090533799906        159.04800000000000        159.04322139122732        1.0580828523590335        1.0581754047676823       -9.2552408648804985E-005
 gaminv  0.97618000004749750        2288.0000000000000        168.31025036264862        168.31025036264862        159.04800000000000        159.04321158283503        1.0582674273713784        1.0581754047676823        9.2022603696007010E-005
 gaminv  0.97417999995250260        2288.0000000000000        168.28090533799906        168.28090533799906        159.04800000000000        159.04322139122735        1.0580828523590333        1.0581754047676823       -9.2552408649027029E-005
 gaminv  0.97618000004749750        2288.0000000000000        168.31025036264862        168.31025036264862        159.04800000000000        159.04321158283503        1.0582674273713784        1.0581754047676823        9.2022603696007010E-005
 gaminv  0.97518287040467433        2288.0000000000000        168.29560854717710        168.29560854717710        159.04800000000000        159.04321647295293        1.0581753329655379        1.0581754047676823       -7.1802144452348671E-008
 gaminv  0.97518364782482270        2288.0000000000000        168.29561995392896        168.29561995392896        159.04800000000000        159.04321646914033        1.0581754047119885        1.0581754047676823       -5.5693893941111128E-011
 gaminv  0.97518370633633944        2288.0000000000000        168.29562081244387        168.29562081244387        159.04800000000000        159.04321646885342        1.0581754101118952        1.0581754047676823        5.3442128500336139E-009
 Changed gamma  0.97518364782482270       0.97518000000000005     
 qinv final   3.9507699952502549        0.0000000000000000        1000.0000000000000        177.68601994848825        196.00000643894958        3.5251751614758744        3.5779638851164428        7099.6392068126988        7401.3350812408726       -18.313986490461332       -18.599999999999994       0.28601350953866245     
 qinv final   4.1507700047497451        0.0000000000000000        1000.0000000000000        177.11392329259135        196.00000643894958        3.5250095288068333        3.5779638851164428        7088.3671462110133        7401.3350812408726       -18.886083146358231       -18.599999999999994      -0.28608314635823717     
   3.9507699952502549        4.1507700047497451     
 qinv final   3.9507699952502549        0.0000000000000000        1000.0000000000000        177.68601994848825        196.00000643894958        3.5251751614758744        3.5779638851164428        7099.6392068126988        7401.3350812408726       -18.313986490461332       -18.599999999999994       0.28601350953866245     
 qinv final   4.1507700047497451        0.0000000000000000        1000.0000000000000        177.11392329259135        196.00000643894958        3.5250095288068333        3.5779638851164428        7088.3671462110133        7401.3350812408726       -18.886083146358231       -18.599999999999994      -0.28608314635823717     
 qinv final   4.0507578277871117        0.0000000000000000        1000.0000000000000        177.40004909687994        196.00000643894958        3.5250924948356488        3.5779638851164428        7094.0069462388410        7401.3350812408726       -18.599957342069644       -18.599999999999994        4.2657930350742390E-005
 qinv final   4.0507727406290011        0.0000000000000000        1000.0000000000000        177.40000643896147        196.00000643894958        3.5250924824854195        3.5779638851164428        7094.0061057472767        7401.3350812408726       -18.599999999988114       -18.599999999999994        1.1880274541908875E-011
 qinv final   4.0507729836758566        0.0000000000000000        1000.0000000000000        177.40000574373036        196.00000643894958        3.5250924822841379        3.5779638851164428        7094.0060920490951        7401.3350812408726       -18.600000695219222       -18.599999999999994       -6.9521922796411673E-007
 Changed q   4.0507727406290011        4.0507700000000000     
 before goinv   109.00000000000000        9.9999997764825821E-003   108.00000002235174        109.99999997764826     
 Changed Go   108.99999999999997        109.00000000000000     
 Changed Gop  0.62791707576778377       0.62792000000000003     
 Changed eta   2.4426313164551119        2.4426299999999999       -8.4000000000000057        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: sp             1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        159.04800000000000        159.04800000000000     
 Gamma   3.6478248226501364E-006
 q   2.7406290010745238E-006
 eta   1.3164551120325996E-006
 Ko   3.0790430116667267E-006
 Kop   1.6270582756661156E-006
 Go   2.8421709430404007E-014
 Gop   2.9242322162614798E-006
sp   159.05 195.14   4.63 856.37   0.98   4.05 109.00   0.63   2.44
 After Vo block
 Changed Ko adiab   195.13932664009224        195.13933307904301     
 Changed Kop adiabatic   4.6265918375849742        4.6265916270582759     
 gaminv  0.97418364777732525        2288.0000000000000        168.28096125862359        168.28096125862359        159.04800000000000        159.04322137318042        1.0580832040855590        1.0581754047676823       -9.2200682123344535E-005
 gaminv  0.97618364787232015        2288.0000000000000        168.31030646865187        168.31030646865187        159.04800000000000        159.04321156478784        1.0582677802635354        1.0581754047676823        9.2375495853058709E-005
 gaminv  0.97418364777732525        2288.0000000000000        168.28096125862359        168.28096125862359        159.04800000000000        159.04322137318047        1.0580832040855586        1.0581754047676823       -9.2200682123788624E-005
 gaminv  0.97618364787232015        2288.0000000000000        168.31030646865187        168.31030646865187        159.04800000000000        159.04321156478784        1.0582677802635354        1.0581754047676823        9.2375495853058709E-005
 gaminv  0.97518270071594071        2288.0000000000000        168.29560854767414        168.29560854767414        159.04800000000000        159.04321647362772        1.0581753329641734        1.0581754047676823       -7.1803508916445935E-008
 gaminv  0.97518347875417299        2288.0000000000000        168.29561996349918        168.29561996349918        159.04800000000000        159.04321646981211        1.0581754047676926        1.0581754047676823        1.0214051826551440E-014
 gaminv  0.97518342024266635        2288.0000000000000        168.29561910498418        168.29561910498418        159.04800000000000        159.04321647009905        1.0581753993677852        1.0581754047676823       -5.3998971960567133E-009
 Changed gamma  0.97518347875417299       0.97518364782482270     
 qinv final   3.9507727358792559        0.0000000000000000        1000.0000000000000        177.68600768570911        195.99999970156358        3.5251751671826121        3.5779638851164428        7099.6389560796870        7401.3349540325817       -18.313992015854467       -18.599999999999994       0.28600798414552742     
 qinv final   4.1507727453787462        0.0000000000000000        1000.0000000000000        177.11391113457333        195.99999970156358        3.5250095345512080        3.5779638851164428        7088.3668971442512        7401.3349540325817       -18.886088566990253       -18.599999999999994      -0.28608856699025864     
   3.9507727358792559        4.1507727453787462     
 qinv final   3.9507727358792559        0.0000000000000000        1000.0000000000000        177.68600768570911        195.99999970156384        3.5251751671826121        3.5779638851164433        7099.6389560796870        7401.3349540325853       -18.313992015854723       -18.599999999999994       0.28600798414527162     
 qinv final   4.1507727453787462        0.0000000000000000        1000.0000000000000        177.11391113457333        195.99999970156358        3.5250095345512080        3.5779638851164428        7088.3668971442512        7401.3349540325817       -18.886088566990253       -18.599999999999994      -0.28608856699025864     
 qinv final   4.0507586550959465        0.0000000000000000        1000.0000000000000        177.40004235947220        195.99999970156384        3.5250925021456880        3.5779638851164433        7094.0068041730929        7401.3349540325853       -18.599957342091642       -18.599999999999994        4.2657908352339291E-005
 qinv final   4.0507735679329615        0.0000000000000000        1000.0000000000000        177.39999970157589        195.99999970156358        3.5250924897954667        3.5779638851164428        7094.0059636819478        7401.3349540325817       -18.599999999987688       -18.599999999999994        1.2306600183364935E-011
 qinv final   4.0507738109798668        0.0000000000000000        1000.0000000000000        177.39999900634453        195.99999970156358        3.5250924895941851        3.5779638851164428        7094.0059499837607        7401.3349540325817       -18.600000695219052       -18.599999999999994       -6.9521905743386014E-007
 Changed q   4.0507735679329615        4.0507727406290011     
 before goinv   108.99999999999997        9.9999997764825821E-003   108.00000002235171        109.99999997764823     
 Changed Go   108.99999999999997        108.99999999999997     
 Changed Gop  0.62791707903095673       0.62791707576778377     
 Changed eta   2.4426314457665304        2.4426313164551119       -8.4000000000000057        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: sp             2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        159.04800000000000        159.04800000000000     
 Gamma   1.6907064970261843E-007
 q   8.2730396044894405E-007
 eta   1.2931141846195260E-007
 Ko   6.4389507770101773E-006
 Kop   2.1052669829657589E-007
 Go   0.0000000000000000     
 Gop   3.2631729540710808E-009
sp   159.05 195.14   4.63 856.37   0.98   4.05 109.00   0.63   2.44
 After Vo block
 Changed Ko adiab   195.13932693852746        195.13932664009224     
 Changed Kop adiabatic   4.6265918335485336        4.6265918375849742     
 gaminv  0.97418347870667554        2288.0000000000000        168.28095934624190        168.28095934624190        159.04800000000000        159.04322137401704        1.0580831920557039        1.0581754047676823       -9.2212711978456596E-005
 gaminv  0.97618347880167045        2288.0000000000000        168.31030455322161        168.31030455322161        159.04800000000000        159.04321156562443        1.0582677682145107        1.0581754047676823        9.2363446828391815E-005
 gaminv  0.97418347870667554        2288.0000000000000        168.28095934624190        168.28095934624190        159.04800000000000        159.04322137401704        1.0580831920557039        1.0581754047676823       -9.2212711978456596E-005
 gaminv  0.97618347880167045        2288.0000000000000        168.31030455322161        168.31030455322161        159.04800000000000        159.04321156562443        1.0582677682145107        1.0581754047676823        9.2363446828391815E-005
 gaminv  0.97518266210018001        2288.0000000000000        168.29560854788005        168.29560854788005        159.04800000000000        159.04321647382457        1.0581753329641586        1.0581754047676823       -7.1803523793434465E-008
 gaminv  0.97518344013849634        2288.0000000000000        168.29561996370745        168.29561996370745        159.04800000000000        159.04321647000893        1.0581754047676926        1.0581754047676823        1.0214051826551440E-014
 gaminv  0.97518338162699203        2288.0000000000000        168.29561910519240        168.29561910519240        159.04800000000000        159.04321647029587        1.0581753993677849        1.0581754047676823       -5.3998974181013182E-009
 Changed gamma  0.97518344013849634       0.97518347875417299     
 qinv final   3.9507735631832164        0.0000000000000000        1000.0000000000000        177.68600623387366        195.99999993183630        3.5251751688589823        3.5779638851164428        7099.6389253867601        7401.3349583803501       -18.313993697962644       -18.599999999999994       0.28600630203735022     
 qinv final   4.1507735726827066        0.0000000000000000        1000.0000000000000        177.11390970722172        195.99999993183630        3.5250095362386178        3.5779638851164428        7088.3668668852770        7401.3349583803501       -18.886090224614577       -18.599999999999994      -0.28609022461458267     
   3.9507735631832164        4.1507735726827066     
 qinv final   3.9507735631832164        0.0000000000000000        1000.0000000000000        177.68600623387366        195.99999993183656        3.5251751688589823        3.5779638851164433        7099.6389253867601        7401.3349583803547       -18.313993697962900       -18.599999999999994       0.28600630203709443     
 qinv final   4.1507735726827066        0.0000000000000000        1000.0000000000000        177.11390970722172        195.99999993183630        3.5250095362386178        3.5779638851164428        7088.3668668852770        7401.3349583803501       -18.886090224614577       -18.599999999999994      -0.28609022461458267     
 qinv final   4.0507588986284713        0.0000000000000000        1000.0000000000000        177.40004258973863        195.99999993183656        3.5250925043110177        3.5779638851164433        7094.0068065983387        7401.3349583803547       -18.599957342097923       -18.599999999999994        4.2657902071141507E-005
 qinv final   4.0507738114639542        0.0000000000000000        1000.0000000000000        177.39999993184881        195.99999993183630        3.5250924919607995        3.5779638851164428        7094.0059661073201        7401.3349583803501       -18.599999999987489       -18.599999999999994        1.2505552149377763E-011
 qinv final   4.0507740545108746        0.0000000000000000        1000.0000000000000        177.39999923661745        195.99999993183630        3.5250924917595170        3.5779638851164428        7094.0059524091348        7401.3349583803501       -18.600000695218853       -18.599999999999994       -6.9521885848189413E-007
 Changed q   4.0507738114639542        4.0507735679329615     
 before goinv   108.99999999999997        9.9999997764825821E-003   108.00000002235171        109.99999997764823     
 Changed Go   108.99999999999997        108.99999999999997     
 Changed Gop  0.62791707878488079       0.62791707903095673     
 Changed eta   2.4426314768035202        2.4426314457665304       -8.4000000000000057        1000.0000000000000        0.0000000000000000     
hc   163.37 208.98   4.63 794.21   1.19   4.05  84.50   0.63   2.49
 After Vo block
 Changed Ko adiab   208.98232147072673        208.98231000000001     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop intraphase   4.6265918335485336        4.6265900000000002                4           3           2
 gaminv   1.1923199999525025        1473.0000000000000        168.68034940763039        168.68034940763039        163.37200000000001        163.35203661915716        1.0326185880430483        1.0326531870194089       -3.4598976360600275E-005
 gaminv   1.1943200000474974        1473.0000000000000        168.69157678289443        168.69157678289443        163.37200000000001        163.35200316262799        1.0326875307121304        1.0326531870194089        3.4343692721483521E-005
 gaminv   1.1923199999525025        1473.0000000000000        168.68034940763039        168.68034940763039        163.37200000000001        163.35203661915716        1.0326185880430483        1.0326531870194089       -3.4598976360600275E-005
 gaminv   1.1943200000474974        1473.0000000000000        168.69157678289443        168.69157678289443        163.37200000000001        163.35200316262799        1.0326875307121304        1.0326531870194089        3.4343692721483521E-005
 gaminv   1.1933237028396875        1473.0000000000000        168.68598236991895        168.68598236991895        163.37200000000001        163.35201982893668        1.0326531777603243        1.0326531870194089       -9.2590846101359148E-009
 gaminv   1.1933239713697457        1473.0000000000000        168.68598387736563        168.68598387736563        163.37200000000001        163.35201982444460        1.0326531870169311        1.0326531870194089       -2.4777957463584244E-012
 gaminv   1.1933240429696814        1473.0000000000000        168.68598427930610        168.68598427930610        163.37200000000001        163.35201982324691        1.0326531894850810        1.0326531870194089        2.4656721109295177E-009
 Changed gamma   1.1933239713697457        1.1933199999999999     
 Changed q intraphase   4.0507738114639542     
 before goinv   84.500000000000000        9.9999997764825821E-003   83.500000022351742        85.499999977648258     
 Changed Go   84.499999999999957        84.500000000000000     
 Changed Gop intraphase  0.62791707878488079     
 Changed eta systematics   2.4936892705491767        2.4936900000000000       -8.8725003525614685        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: hc             1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        163.37200000000001        163.37200000000001     
 Gamma   3.9713697457255392E-006
 q   0.0000000000000000     
 eta   7.2945082330022615E-007
 Ko   1.1470726718698643E-005
 Kop   0.0000000000000000     
 Go   4.2632564145606011E-014
 Gop   0.0000000000000000     
hc   163.37 208.98   4.63 794.21   1.19   4.05  84.50   0.63   2.49
 After Vo block
 Changed Ko adiab   208.98231270024212        208.98232147072673     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop intraphase   4.6265918335485336        4.6265918335485336                4           3           2
 gaminv   1.1923239713222482        1473.0000000000000        168.68037273948835        168.68037273948835        163.37200000000001        163.35203655189508        1.0326187312999953        1.0326531870194089       -3.4455719413628572E-005
 gaminv   1.1943239714172431        1473.0000000000000        168.69160014330393        168.69160014330393        163.37200000000001        163.35200309536475        1.0326876741439279        1.0326531870194089        3.4487124519033685E-005
 gaminv   1.1923239713222482        1473.0000000000000        168.68037273948835        168.68037273948835        163.37200000000001        163.35203655189511        1.0326187312999950        1.0326531870194089       -3.4455719413850616E-005
 gaminv   1.1943239714172431        1473.0000000000000        168.69160014330393        168.69160014330393        163.37200000000001        163.35200309536475        1.0326876741439279        1.0326531870194089        3.4487124519033685E-005
 gaminv   1.1933235158459394        1473.0000000000000        168.68598237226482        168.68598237226482        163.37200000000001        163.35201983123622        1.0326531777601482        1.0326531870194089       -9.2592606915076203E-009
 gaminv   1.1933237844529054        1473.0000000000000        168.68598388014371        168.68598388014371        163.37200000000001        163.35201982674286        1.0326531870194091        1.0326531870194089        2.2204460492503131E-016
 gaminv   1.1933237128529810        1473.0000000000000        168.68598347820318        168.68598347820318        163.37200000000001        163.35201982794058        1.0326531845512585        1.0326531870194089       -2.4681503507650859E-009
 Changed gamma   1.1933237844529054        1.1933239713697457     
 Changed q intraphase   4.0507738114639542     
 before goinv   84.499999999999957        9.9999997764825821E-003   83.500000022351699        85.499999977648216     
 Changed Go   84.499999999999957        84.499999999999957     
 Changed Gop intraphase  0.62791707878488079     
 Changed eta systematics   2.4936894191426657        2.4936892705491767       -8.8725003525614685        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: hc             2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        163.37200000000001        163.37200000000001     
 Gamma   1.8691684022797972E-007
 q   0.0000000000000000     
 eta   1.4859348906881564E-007
 Ko   8.7704846123415336E-006
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
hc   163.37 208.98   4.63 794.21   1.19   4.05  84.50   0.63   2.49
 After Vo block
 Changed Ko adiab   208.98231311303522        208.98231270024212     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop intraphase   4.6265918335485336        4.6265918335485336                4           3           2
 gaminv   1.1923237844054080        1473.0000000000000        168.68037167775617        168.68037167775617        163.37200000000001        163.35203655506129        1.0326187247803233        1.0326531870194089       -3.4462239085542024E-005
 gaminv   1.1943237845004029        1473.0000000000000        168.69159908040649        168.69159908040649        163.37200000000001        163.35200309853099        1.0326876676171197        1.0326531870194089        3.4480597710828675E-005
 gaminv   1.1923237844054080        1473.0000000000000        168.68037167775617        168.68037167775617        163.37200000000001        163.35203655506132        1.0326187247803233        1.0326531870194089       -3.4462239085542024E-005
 gaminv   1.1943237845004029        1473.0000000000000        168.69159908040649        168.69159908040649        163.37200000000001        163.35200309853099        1.0326876676171197        1.0326531870194089        3.4480597710828675E-005
 gaminv   1.1933235181652531        1473.0000000000000        168.68598237226553        168.68598237226553        163.37200000000001        163.35201983123684        1.0326531777601484        1.0326531870194089       -9.2592604694630154E-009
 gaminv   1.1933237867722131        1473.0000000000000        168.68598388014439        168.68598388014439        163.37200000000001        163.35201982674351        1.0326531870194091        1.0326531870194089        2.2204460492503131E-016
 gaminv   1.1933237151722884        1473.0000000000000        168.68598347820389        168.68598347820389        163.37200000000001        163.35201982794123        1.0326531845512588        1.0326531870194089       -2.4681501287204810E-009
 Changed gamma   1.1933237867722131        1.1933237844529054     
 Changed q intraphase   4.0507738114639542     
 before goinv   84.499999999999957        9.9999997764825821E-003   83.500000022351699        85.499999977648216     
 Changed Go   84.499999999999957        84.499999999999957     
 Changed Gop intraphase  0.62791707878488079     
 Changed eta systematics   2.4936894174036972        2.4936894191426657       -8.8725003525614685        300.00000000000000        1000.0000000000000        0.0000000000000000     
fo    43.60 127.96   4.22 809.20   0.99   2.11  81.60   1.46   2.30
 After Vo block
 Changed Ko adiab   127.95550722802170        127.95550000000000     
 Changed Kop adiabatic   4.2179602262241556        4.2179599999999997     
 Changed theta cal   809.19757292338909        809.19770000000005       -0.0000000000000000        276.22098488455686        276.22101230440205       -2.7419845196163806E-005   0.0000000000000000        1000.0000000000000      fo                                                                              
 gaminv  0.99179999995250256        2150.0000000000000        46.739235132414279        46.739235132414279        43.603000000000002        43.603000000000002        1.0719270493409692        1.0720299358586651       -1.0288651769596591E-004
 gaminv  0.99380000004749747        2150.0000000000000        46.748182395870295        46.748182395870295        43.603000000000002        43.603000000000002        1.0721322476864044        1.0720299358586651        1.0231182773923209E-004
 gaminv  0.99179999995250256        2150.0000000000000        46.739235132414279        46.739235132414279        43.603000000000002        43.603000000000009        1.0719270493409689        1.0720299358586651       -1.0288651769618795E-004
 gaminv  0.99380000004749747        2150.0000000000000        46.748182395870295        46.748182395870295        43.603000000000002        43.603000000000002        1.0721322476864044        1.0720299358586651        1.0231182773923209E-004
 gaminv  0.99280280065603377        2150.0000000000000        46.743718818549816        46.743718818549816        43.603000000000002        43.603000000000009        1.0720298791034977        1.0720299358586651       -5.6755167454625166E-008
 gaminv  0.99280335352310334        2150.0000000000000        46.743721291880419        46.743721291880419        43.603000000000002        43.603000000000002        1.0720299358273608        1.0720299358586651       -3.1304292491540764E-011
 gaminv  0.99280341309180242        2150.0000000000000        46.743721558369678        46.743721558369678        43.603000000000002        43.602999999999994        1.0720299419390795        1.0720299358586651        6.0804143942050359E-009
 Changed gamma  0.99280335352310334       0.99280000000000002     
 qinv final   2.0067099952502550        0.0000000000000000        1700.0000000000000        104.55649308358070        128.80000578854862        3.0754773772732436        3.2267275187487101        5830.6803844510468        6317.9588771997305       -24.243512704967912       -24.899999999999991       0.65648729503207903     
 qinv final   2.2067100047497452        0.0000000000000000        1700.0000000000000        103.24103692269350        128.80000578854853        3.0737480828381876        3.2267275187487092        5795.5151236289403        6317.9588771997296       -25.558968865855036       -24.899999999999991      -0.65896886585504433     
   2.0067099952502550        2.2067100047497452     
 qinv final   2.0067099952502550        0.0000000000000000        1700.0000000000000        104.55649308358070        128.80000578854862        3.0754773772732436        3.2267275187487101        5830.6803844510468        6317.9588771997305       -24.243512704967912       -24.899999999999991       0.65648729503207903     
 qinv final   2.2067100047497452        0.0000000000000000        1700.0000000000000        103.24103692269350        128.80000578854853        3.0737480828381876        3.2267275187487092        5795.5151236289403        6317.9588771997296       -25.558968865855036       -24.899999999999991      -0.65896886585504433     
 qinv final   2.1065213528208222        0.0000000000000000        1700.0000000000000        103.90122529435597        128.80000578854862        3.0746205079669413        3.2267275187487101        5813.1907625782378        6317.9588771997305       -24.898780494192650       -24.899999999999991        1.2195058073416476E-003
 qinv final   2.1067067666149266        0.0000000000000000        1700.0000000000000        103.90000580181977        128.80000578854853        3.0746189049124304        3.2267275187487092        5813.1581631010895        6317.9588771997296       -24.899999986728758       -24.899999999999991        1.3271233001432847E-008
 qinv final   2.1067068930178281        0.0000000000000000        1700.0000000000000        103.90000497044724        128.80000578854862        3.0746189038195588        3.2267275187487101        5813.1581408767743        6317.9588771997305       -24.900000818101375       -24.899999999999991       -8.1810138397031551E-007
 Changed q   2.1067067666149266        2.1067100000000001     
 before goinv   81.599999999999994        9.9999997764825821E-003   80.600000022351736        82.599999977648253     
 Changed Go   81.599999999999994        81.599999999999994     
 Changed Gop   1.4625714700354886        1.4625699999999999     
 Changed eta   2.2996830863363495        2.2996799999999999       -20.399999999999991        1700.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fo             1
 Theta   1.2707661096555967E-004
 Vo   0.0000000000000000        43.603000000000002        43.603000000000002     
 Gamma   3.3535231033221535E-006
 q   3.2333850734644898E-006
 eta   3.0863363496003160E-006
 Ko   7.2280217011666537E-006
 Kop   2.2622415585260569E-007
 Go   0.0000000000000000     
 Gop   1.4700354886709732E-006
fo    43.60 127.96   4.22 809.20   0.99   2.11  81.60   1.46   2.30
 After Vo block
 Changed Ko adiab   127.95550143946984        127.95550722802170     
 Changed Kop adiabatic   4.2179603210429670        4.2179602262241556     
 Changed theta cal   809.19768845098929        809.19757292338909       -0.0000000000000000        276.22103723226968        276.22101230440205        2.4927867627866362E-005   0.0000000000000000        1000.0000000000000      fo                                                                              
 gaminv  0.99180335347560589        2150.0000000000000        46.739249304570492        46.739249304570492        43.603000000000002        43.603000000000002        1.0719273743680593        1.0720299358586651       -1.0256149060583475E-004
 gaminv  0.99380335357060079        2150.0000000000000        46.748196594812647        46.748196594812647        43.603000000000002        43.602999999999994        1.0721325733278135        1.0720299358586651        1.0263746914840333E-004
 gaminv  0.99180335347560589        2150.0000000000000        46.739249304570492        46.739249304570492        43.603000000000002        43.603000000000002        1.0719273743680593        1.0720299358586651       -1.0256149060583475E-004
 gaminv  0.99380335357060079        2150.0000000000000        46.748196594812647        46.748196594812647        43.603000000000002        43.602999999999994        1.0721325733278135        1.0720299358586651        1.0263746914840333E-004
 gaminv  0.99280298325540672        2150.0000000000000        46.743718818520293        46.743718818520293        43.603000000000002        43.603000000000002        1.0720298791028207        1.0720299358586651       -5.6755844468625583E-008
 gaminv  0.99280353643450514        2150.0000000000000        46.743721293245535        46.743721293245535        43.603000000000002        43.603000000000002        1.0720299358586687        1.0720299358586651        3.5527136788005009E-015
 gaminv  0.99280347686579506        2150.0000000000000        46.743721026756369        46.743721026756369        43.603000000000002        43.603000000000002        1.0720299297469524        1.0720299358586651       -6.1117126914922437E-009
 Changed gamma  0.99280353643450514       0.99280335352310334     
 qinv final   2.0067067618651815        0.0000000000000000        1700.0000000000000        104.55650413566674        128.80000023534052        3.0754773660828825        3.2267275187487101        5830.6807032231454        6317.9587410004333       -24.243496099673777       -24.899999999999991       0.65650390032621431     
 qinv final   2.2067067713646717        0.0000000000000000        1700.0000000000000        103.24104775753293        128.80000023534041        3.0737480713828651        3.2267275187487092        5795.5154385393971        6317.9587410004315       -25.558952477807480       -24.899999999999991      -0.65895247780748889     
   2.0067067618651815        2.2067067713646717     
 qinv final   2.0067067618651815        0.0000000000000000        1700.0000000000000        104.55650413566674        128.80000023534041        3.0754773660828825        3.2267275187487092        5830.6807032231454        6317.9587410004315       -24.243496099673663       -24.899999999999991       0.65650390032632799     
 qinv final   2.2067067713646717        0.0000000000000000        1700.0000000000000        103.24104775753293        128.80000023534041        3.0737480713828651        3.2267275187487092        5795.5154385393971        6317.9587410004315       -25.558952477807480       -24.899999999999991      -0.65895247780748889     
 qinv final   2.1065206275959394        0.0000000000000000        1700.0000000000000        103.90121974181443        128.80000023534041        3.0746204749609434        3.2267275187487092        5813.1906384503482        6317.9587410004315       -24.898780493525976       -24.899999999999991        1.2195064740154749E-003
 qinv final   2.1067060414435392        0.0000000000000000        1700.0000000000000        103.90000024861168        128.80000023534041        3.0746188719051530        3.2267275187487092        5813.1580389546534        6317.9587410004315       -24.899999986728730       -24.899999999999991        1.3271261423142278E-008
 qinv final   2.1067061678463972        0.0000000000000000        1700.0000000000000        103.89999941723923        128.80000023534052        3.0746188708122815        3.2267275187487101        5813.1580167303382        6317.9587410004333       -24.900000818101290       -24.899999999999991       -8.1810129870518722E-007
 Changed q   2.1067060414435392        2.1067067666149266     
 before goinv   81.599999999999994        9.9999997764825821E-003   80.600000022351736        82.599999977648253     
 Changed Go   81.599999999999994        81.599999999999994     
 Changed Gop   1.4625714864273600        1.4625714700354886     
 Changed eta   2.2996827561400286        2.2996830863363495       -20.399999999999991        1700.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fo             2
 Theta   1.1552760020094865E-004
 Vo   0.0000000000000000        43.603000000000002        43.603000000000002     
 Gamma   1.8291140180259902E-007
 q   7.2517138738348308E-007
 eta   3.3019632095232510E-007
 Ko   5.7885518600642172E-006
 Kop   9.4818811469110642E-008
 Go   0.0000000000000000     
 Gop   1.6391871415777359E-008
fo    43.60 127.96   4.22 809.20   0.99   2.11  81.60   1.46   2.30
 After Vo block
 Changed Ko adiab   127.95550120412607        127.95550143946984     
 Changed Kop adiabatic   4.2179603207045497        4.2179603210429670     
 Changed theta cal   809.19769766009688        809.19768845098929       -0.0000000000000000        276.22101429148910        276.22101230440205        1.9870870460181322E-006   0.0000000000000000        1000.0000000000000      fo                                                                              
 gaminv  0.99180353638700769        2150.0000000000000        46.739249907367615        46.739249907367615        43.603000000000002        43.603000000000002        1.0719273881927303        1.0720299358586651       -1.0254766593487119E-004
 gaminv  0.99380353648200259        2150.0000000000000        46.748197197838785        46.748197197838785        43.603000000000002        43.603000000000002        1.0721325871577365        1.0720299358586651        1.0265129907138792E-004
 gaminv  0.99180353638700769        2150.0000000000000        46.739249907367615        46.739249907367615        43.603000000000002        43.603000000000002        1.0719273881927303        1.0720299358586651       -1.0254766593487119E-004
 gaminv  0.99380353648200259        2150.0000000000000        46.748197197838785        46.748197197838785        43.603000000000002        43.603000000000002        1.0721325871577365        1.0720299358586651        1.0265129907138792E-004
 gaminv  0.99280303139715553        2150.0000000000000        46.743718818521124        46.743718818521124        43.603000000000002        43.603000000000002        1.0720298791028398        1.0720299358586651       -5.6755825372789559E-008
 gaminv  0.99280358457613616        2150.0000000000000        46.743721293245535        46.743721293245535        43.603000000000002        43.603000000000002        1.0720299358586687        1.0720299358586651        3.5527136788005009E-015
 gaminv  0.99280352500742319        2150.0000000000000        46.743721026756397        46.743721026756397        43.603000000000002        43.603000000000002        1.0720299297469531        1.0720299358586651       -6.1117120253584289E-009
 Changed gamma  0.99280358457613616       0.99280353643450514     
 qinv final   2.0067060366937941        0.0000000000000000        1700.0000000000000        104.55650762506063        128.80000007585238        3.0754773634700623        3.2267275187487097        5830.6808029943986        6317.9587370887893       -24.243492450791749       -24.899999999999991       0.65650754920824284     
 qinv final   2.2067060461932844        0.0000000000000000        1700.0000000000000        103.24105118542465        128.80000007585238        3.0737480687074226        3.2267275187487097        5795.5155372753206        6317.9587370887893       -25.558948890427729       -24.899999999999991      -0.65894889042773741     
   2.0067060366937941        2.2067060461932844     
 qinv final   2.0067060366937941        0.0000000000000000        1700.0000000000000        104.55650762506063        128.80000007585227        3.0754773634700623        3.2267275187487092        5830.6808029943986        6317.9587370887875       -24.243492450791635       -24.899999999999991       0.65650754920835652     
 qinv final   2.2067060461932844        0.0000000000000000        1700.0000000000000        103.24105118542465        128.80000007585238        3.0737480687074226        3.2267275187487097        5795.5155372753206        6317.9587370887893       -25.558948890427729       -24.899999999999991      -0.65894889042773741     
 qinv final   2.1065204525284082        0.0000000000000000        1700.0000000000000        103.90121958249070        128.80000007585227        3.0746204675611719        3.2267275187487092        5813.1906409887115        6317.9587370887875       -24.898780493361571       -24.899999999999991        1.2195066384208531E-003
 qinv final   2.1067058663885536        0.0000000000000000        1700.0000000000000        103.90000008912324        128.80000007585227        3.0746188645050889        3.2267275187487092        5813.1580414886221        6317.9587370887875       -24.899999986729028       -24.899999999999991        1.3270962995193258E-008
 qinv final   2.1067059927914009        0.0000000000000000        1700.0000000000000        103.89999925775093        128.80000007585238        3.0746188634122174        3.2267275187487101        5813.1580192643114        6317.9587370887893       -24.900000818101446       -24.899999999999991       -8.1810145502458909E-007
 Changed q   2.1067058663885536        2.1067060414435392     
 before goinv   81.599999999999994        9.9999997764825821E-003   80.600000022351736        82.599999977648253     
 Changed Go   81.599999999999994        81.599999999999994     
 Changed Gop   1.4625714870694551        1.4625714864273600     
 Changed eta   2.2996826647307844        2.2996827561400286       -20.399999999999991        1700.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fo             3
 Theta   9.2091075885036844E-006
 Vo   0.0000000000000000        43.603000000000002        43.603000000000002     
 Gamma   4.8141631014964048E-008
 q   1.7505498561831700E-007
 eta   9.1409244173945581E-008
 Ko   2.3534377646683424E-007
 Kop   3.3841729418782052E-010
 Go   0.0000000000000000     
 Gop   6.4209504380130511E-010
fo    43.60 127.96   4.22 809.20   0.99   2.11  81.60   1.46   2.30
 After Vo block
 Changed Ko adiab   127.95550112827044        127.95550120412607     
 Changed Kop adiabatic   4.2179603209325007        4.2179603207045497     
 Changed theta cal   809.19769953526929        809.19769766009688       -0.0000000000000000        276.22101270901572        276.22101230440205        4.0461367234456702E-007   0.0000000000000000        1000.0000000000000      fo                                                                              
 gaminv  0.99180358452863870        2150.0000000000000        46.739250071530591        46.739250071530591        43.603000000000002        43.603000000000002        1.0719273919576771        1.0720299358586651       -1.0254390098807242E-004
 gaminv  0.99380358462363361        2150.0000000000000        46.748197362099937        46.748197362099937        43.603000000000002        43.602999999999994        1.0721325909249351        1.0720299358586651        1.0265506626994103E-004
 gaminv  0.99180358452863870        2150.0000000000000        46.739250071530591        46.739250071530591        43.603000000000002        43.603000000000009        1.0719273919576768        1.0720299358586651       -1.0254390098829447E-004
 gaminv  0.99380358462363361        2150.0000000000000        46.748197362099937        46.748197362099937        43.603000000000002        43.602999999999994        1.0721325909249351        1.0720299358586651        1.0265506626994103E-004
 gaminv  0.99280304283224530        2150.0000000000000        46.743718818521330        46.743718818521330        43.603000000000002        43.603000000000009        1.0720298791028444        1.0720299358586651       -5.6755820709852856E-008
 gaminv  0.99280359601119694        2150.0000000000000        46.743721293245535        46.743721293245535        43.603000000000002        43.603000000000002        1.0720299358586687        1.0720299358586651        3.5527136788005009E-015
 gaminv  0.99280353644248331        2150.0000000000000        46.743721026756404        46.743721026756404        43.603000000000002        43.603000000000002        1.0720299297469533        1.0720299358586651       -6.1117118033138240E-009
 Changed gamma  0.99280359601119694       0.99280358457613616     
 qinv final   2.0067058616388085        0.0000000000000000        1700.0000000000000        104.55650844924223        128.80000001821966        3.0754773628375460        3.2267275187487101        5830.6808265745667        6317.9587356752754       -24.243491568977433       -24.899999999999991       0.65650843102255863     
 qinv final   2.2067058711382987        0.0000000000000000        1700.0000000000000        103.24105199498192        128.80000001821966        3.0737480680597997        3.2267275187487097        5795.5155606084209        6317.9587356752754       -25.558948023237747       -24.899999999999991      -0.65894802323775536     
   2.0067058616388085        2.2067058711382987     
 qinv final   2.0067058616388085        0.0000000000000000        1700.0000000000000        104.55650844924223        128.80000001821966        3.0754773628375460        3.2267275187487101        5830.6808265745667        6317.9587356752754       -24.243491568977433       -24.899999999999991       0.65650843102255863     
 qinv final   2.2067058711382987        0.0000000000000000        1700.0000000000000        103.24105199498192        128.80000001821966        3.0737480680597997        3.2267275187487097        5795.5155606084209        6317.9587356752754       -25.558948023237747       -24.899999999999991      -0.65894802323775536     
 qinv final   2.1065204104334612        0.0000000000000000        1700.0000000000000        103.90121952489724        128.80000001821966        3.0746204657716638        3.2267275187487101        5813.1906410692700        6317.9587356752754       -24.898780493322420       -24.899999999999991        1.2195066775717578E-003
 qinv final   2.1067058242965837        0.0000000000000000        1700.0000000000000        103.90000003149075        128.80000001821966        3.0746188627155107        3.2267275187487097        5813.1580415681374        6317.9587356752754       -24.899999986728915       -24.899999999999991        1.3271076682030980E-008
 qinv final   2.1067059506994288        0.0000000000000000        1700.0000000000000        103.89999920011843        128.80000001821966        3.0746188616226395        3.2267275187487101        5813.1580193438258        6317.9587356752754       -24.900000818101233       -24.899999999999991       -8.1810124186176836E-007
 Changed q   2.1067058242965837        2.1067058663885536     
 before goinv   81.599999999999994        9.9999997764825821E-003   80.600000022351736        82.599999977648253     
 Changed Go   81.599999999999994        81.599999999999994     
 Changed Gop   1.4625714872783728        1.4625714870694551     
 Changed eta   2.2996826427712822        2.2996826647307844       -20.399999999999991        1700.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fo             4
 Theta   1.8751724155663396E-006
 Vo   0.0000000000000000        43.603000000000002        43.603000000000002     
 Gamma   1.1435060787157170E-008
 q   4.2091969909563431E-008
 eta   2.1959502216617466E-008
 Ko   7.5855624004361744E-008
 Kop   2.2795099141603714E-010
 Go   0.0000000000000000     
 Gop   2.0891777197107331E-010
fo    43.60 127.96   4.22 809.20   0.99   2.11  81.60   1.46   2.30
 After Vo block
 Changed Ko adiab   127.95550111004751        127.95550112827044     
 Changed Kop adiabatic   4.2179603209853473        4.2179603209325007     
 Changed theta cal   809.19769997217065        809.19769953526929       -0.0000000000000000        276.22101239867408        276.22101230440205        9.4272024853125913E-008   0.0000000000000000        1000.0000000000000      fo                                                                              
 gaminv  0.99180359596369949        2150.0000000000000        46.739250110380254        46.739250110380254        43.603000000000002        43.603000000000002        1.0719273928486630        1.0720299358586651       -1.0254301000212074E-004
 gaminv  0.99380359605869439        2150.0000000000000        46.748197400971826        46.748197400971826        43.603000000000002        43.602999999999994        1.0721325918164308        1.0720299358586651        1.0265595776570713E-004
 gaminv  0.99180359596369949        2150.0000000000000        46.739250110380254        46.739250110380254        43.603000000000002        43.603000000000009        1.0719273928486628        1.0720299358586651       -1.0254301000234278E-004
 gaminv  0.99380359605869439        2150.0000000000000        46.748197400971826        46.748197400971826        43.603000000000002        43.602999999999994        1.0721325918164308        1.0720299358586651        1.0265595776570713E-004
 gaminv  0.99280304558070520        2150.0000000000000        46.743718818521387        46.743718818521387        43.603000000000002        43.603000000000009        1.0720298791028455        1.0720299358586651       -5.6755819599629831E-008
 gaminv  0.99280359875964996        2150.0000000000000        46.743721293245535        46.743721293245535        43.603000000000002        43.603000000000002        1.0720299358586687        1.0720299358586651        3.5527136788005009E-015
 gaminv  0.99280353919093611        2150.0000000000000        46.743721026756404        46.743721026756404        43.603000000000002        43.603000000000002        1.0720299297469533        1.0720299358586651       -6.1117118033138240E-009
 Changed gamma  0.99280359875964996       0.99280359601119694     
 qinv final   2.0067058195468386        0.0000000000000000        1700.0000000000000        104.55650864743082        128.80000000438574        3.0754773626853740        3.2267275187487101        5830.6808322448924        6317.9587353359802       -24.243491356954920       -24.899999999999991       0.65650864304507195     
 qinv final   2.2067058290463288        0.0000000000000000        1700.0000000000000        103.24105218965380        128.80000000438574        3.0737480679039941        3.2267275187487097        5795.5155662193338        6317.9587353359811       -25.558947814731937       -24.899999999999991      -0.65894781473194541     
   2.0067058195468386        2.2067058290463288     
 qinv final   2.0067058195468386        0.0000000000000000        1700.0000000000000        104.55650864743082        128.80000000438574        3.0754773626853740        3.2267275187487101        5830.6808322448924        6317.9587353359802       -24.243491356954920       -24.899999999999991       0.65650864304507195     
 qinv final   2.2067058290463288        0.0000000000000000        1700.0000000000000        103.24105218965380        128.80000000438574        3.0737480679039941        3.2267275187487097        5795.5155662193338        6317.9587353359811       -25.558947814731937       -24.899999999999991      -0.65894781473194541     
 qinv final   2.1065204003102322        0.0000000000000000        1700.0000000000000        103.90121951107274        128.80000000438574        3.0746204653413054        3.2267275187487101        5813.1906410893753        6317.9587353359802       -24.898780493312998       -24.899999999999991        1.2195066869935545E-003
 qinv final   2.1067058141740715        0.0000000000000000        1700.0000000000000        103.90000001765689        128.80000000438574        3.0746188622851358        3.2267275187487097        5813.1580415879916        6317.9587353359811       -24.899999986728844       -24.899999999999991        1.3271147736304556E-008
 qinv final   2.1067059405769157        0.0000000000000000        1700.0000000000000        103.89999918628442        128.80000000438574        3.0746188611922638        3.2267275187487101        5813.1580193636764        6317.9587353359802       -24.900000818101319       -24.899999999999991       -8.1810132712689665E-007
 Changed q   2.1067058141740715        2.1067058242965837     
 before goinv   81.599999999999994        9.9999997764825821E-003   80.600000022351736        82.599999977648253     
 Changed Go   81.599999999999994        81.599999999999994     
 Changed Gop   1.4625714873285516        1.4625714872783728     
 Changed eta   2.2996826374864665        2.2996826427712822       -20.399999999999991        1700.0000000000000        0.0000000000000000     
fa    46.29 136.49   4.88 618.96   1.08   2.88  51.22   0.86   1.66
 After Vo block
 Changed Ko adiab   136.48558142520022        136.48558000000000     
 Changed Kop adiabatic   4.8815692553573493        4.8815700000000000     
 Changed theta cal   618.96115384140626        618.96115999999995       -0.0000000000000000        349.15692892698155        349.15693066427082       -1.7372892671119189E-006   0.0000000000000000        1000.0000000000000      fa                                                                              
 gaminv   1.0828799999525025        1123.0000000000000        47.520120740675630        47.520120740675630        46.289999999999999        46.293397989285808        1.0264988703502329        1.0265272453903969       -2.8375040163952647E-005
 gaminv   1.0848800000474974        1123.0000000000000        47.522754534257807        47.522754534257807        46.289999999999999        46.293404267737422        1.0265556246287366        1.0265272453903969        2.8379238339759638E-005
 gaminv   1.0828799999525025        1123.0000000000000        47.520120740675630        47.520120740675630        46.289999999999999        46.293397989285801        1.0264988703502331        1.0265272453903969       -2.8375040163730603E-005
 gaminv   1.0848800000474974        1123.0000000000000        47.522754534257807        47.522754534257807        46.289999999999999        46.293404267737422        1.0265556246287366        1.0265272453903969        2.8379238339759638E-005
 gaminv   1.0838799260289032        1123.0000000000000        47.521437317787736        47.521437317787736        46.289999999999999        46.293401128278106        1.0265272405910892        1.0265272453903969       -4.7993076179864147E-009
 gaminv   1.0838800951547640        1123.0000000000000        47.521437540509019        47.521437540509019        46.289999999999999        46.293401128809030        1.0265272453903969        1.0265272453903969        0.0000000000000000     
 Changed gamma   1.0838800951547640        1.0838800000000000     
 qinv final   2.7805499952502548        0.0000000000000000        700.00000000000000        129.02713900444363        137.57000019460799        4.3516438992211919        4.4021818967379565        5445.2002919270735        5590.2068391864732       -8.5428611901643592       -8.6999999999999886       0.15713880983562944     
 qinv final   2.9805500047497451        0.0000000000000000        700.00000000000000        128.71284357212045        137.57000019460799        4.3515218156320143        4.4021818967379565        5438.6405940596151        5590.2068391864732       -8.8571566224875369       -8.6999999999999886      -0.15715662248754825     
   2.7805499952502548        2.9805500047497451     
 qinv final   2.7805499952502548        0.0000000000000000        700.00000000000000        129.02713900444363        137.57000019460799        4.3516438992211919        4.4021818967379565        5445.2002919270735        5590.2068391864732       -8.5428611901643592       -8.6999999999999886       0.15713880983562944     
 qinv final   2.9805500047497451        0.0000000000000000        700.00000000000000        128.71284357212045        137.57000019460799        4.3515218156320143        4.4021818967379565        5438.6405940596151        5590.2068391864732       -8.8571566224875369       -8.6999999999999886      -0.15715662248754825     
 qinv final   2.8805443325130011        0.0000000000000000        700.00000000000000        128.87001285711446        137.57000019460799        4.3515829391487557        4.4021818967379565        5441.9218816898056        5590.2068391864732       -8.6999873374935248       -8.6999999999999886        1.2662506463811951E-005
 qinv final   2.8805523902230159        0.0000000000000000        700.00000000000000        128.87000019460950        137.57000019460781        4.3515829342301933        4.4021818967379556        5441.9216174092007        5590.2068391864705       -8.6999999999983118       -8.6999999999999886        1.6768808563938364E-012
 qinv final   2.8805525630566531        0.0000000000000000        700.00000000000000        128.86999992300545        137.57000019460781        4.3515829341246928        4.4021818967379556        5441.9216117405213        5590.2068391864705       -8.7000002716023630       -8.6999999999999886       -2.7160237436874013E-007
 Changed q   2.8805523902230159        2.8805499999999999     
 before goinv   51.219999999999999        9.9999997764825821E-003   50.220000022351741        52.219999977648257     
 Changed Go   51.219999999999999        51.219999999999999     
 Changed Gop  0.85892781030452781       0.85892999999999997     
 Changed eta   1.6593704578328032        1.6593700000000000       -3.6000000000000014        700.00000000000000        0.0000000000000000     
 Looping back for species.  Differences: fa             1
 Theta   6.1585936919072992E-006
 Vo   0.0000000000000000        46.289999999999999        46.289999999999999     
 Gamma   9.5154764068183795E-008
 q   2.3902230159578153E-006
 eta   4.5783280322453379E-007
 Ko   1.4252002245029871E-006
 Kop   7.4464265065188329E-007
 Go   0.0000000000000000     
 Gop   2.1896954721656314E-006
fa    46.29 136.49   4.88 618.96   1.08   2.88  51.22   0.86   1.66
 After Vo block
 Changed Ko adiab   136.48558123058783        136.48558142520022     
 Changed Kop adiabatic   4.8815692863567195        4.8815692553573493     
 Changed theta cal   618.96115782927495        618.96115384140626       -0.0000000000000000        349.15693178921617        349.15693066427082        1.1249453564232681E-006   0.0000000000000000        1000.0000000000000      fa                                                                              
 gaminv   1.0828800951072666        1123.0000000000000        47.520120955245538        47.520120955245538        46.289999999999999        46.293397989581472        1.0264988749786772        1.0265272453903969       -2.8370411719658151E-005
 gaminv   1.0848800952022615        1123.0000000000000        47.522754749333920        47.522754749333920        46.289999999999999        46.293404268033093        1.0265556292681144        1.0265272453903969        2.8383877717530481E-005
 gaminv   1.0828800951072666        1123.0000000000000        47.520120955245538        47.520120955245538        46.289999999999999        46.293397989581472        1.0264988749786772        1.0265272453903969       -2.8370411719658151E-005
 gaminv   1.0848800952022615        1123.0000000000000        47.522754749333920        47.522754749333920        46.289999999999999        46.293404268033093        1.0265556292681144        1.0265272453903969        2.8383877717530481E-005
 gaminv   1.0838798578863804        1123.0000000000000        47.521437317564832        47.521437317564832        46.289999999999999        46.293401128061141        1.0265272405910852        1.0265272453903969       -4.7993116147893033E-009
 gaminv   1.0838800270123587        1123.0000000000000        47.521437540286300        47.521437540286300        46.289999999999999        46.293401128592073        1.0265272453903966        1.0265272453903969       -2.2204460492503131E-016
 gaminv   1.0838800920456579        1123.0000000000000        47.521437625928449        47.521437625928449        46.289999999999999        46.293401128796226        1.0265272472358558        1.0265272453903969        1.8454588968097596E-009
 Changed gamma   1.0838800270123587        1.0838800951547640     
 qinv final   2.7805523854732708        0.0000000000000000        700.00000000000000        129.02713532979175        137.56999986091807        4.3516439010776384        4.4021818967379565        5445.2002132268044        5590.2068324066686       -8.5428645311263267       -8.6999999999999886       0.15713546887366192     
 qinv final   2.9805523949727610        0.0000000000000000        700.00000000000000        128.71283991802230        137.56999986091807        4.3515218174977095        4.4021818967379565        5438.6405156934716        5590.2068324066686       -8.8571599428957768       -8.6999999999999886      -0.15715994289578816     
   2.7805523854732708        2.9805523949727610     
 qinv final   2.7805523854732708        0.0000000000000000        700.00000000000000        129.02713532979175        137.56999986091807        4.3516439010776384        4.4021818967379565        5445.2002132268044        5590.2068324066686       -8.5428645311263267       -8.6999999999999886       0.15713546887366192     
 qinv final   2.9805523949727610        0.0000000000000000        700.00000000000000        128.71283991802230        137.56999986091807        4.3515218174977095        4.4021818967379565        5438.6405156934716        5590.2068324066686       -8.8571599428957768       -8.6999999999999886      -0.15715994289578816     
 qinv final   2.8805446032740587        0.0000000000000000        700.00000000000000        128.87001252342210        137.56999986091807        4.3515829423035708        4.4021818967379565        5441.9218726715808        5590.2068324066686       -8.6999873374959691       -8.6999999999999886        1.2662504019544940E-005
 qinv final   2.8805526609830725        0.0000000000000000        700.00000000000000        128.86999986091976        137.56999986091807        4.3515829373850101        4.4021818967379565        5441.9216083910305        5590.2068324066686       -8.6999999999983118       -8.6999999999999886        1.6768808563938364E-012
 qinv final   2.8805528338167261        0.0000000000000000        700.00000000000000        128.86999958931554        137.56999986091807        4.3515829372795096        4.4021818967379565        5441.9216027223474        5590.2068324066686       -8.7000002716025335       -8.6999999999999886       -2.7160254489899671E-007
 Changed q   2.8805526609830725        2.8805523902230159     
 before goinv   51.219999999999999        9.9999997764825821E-003   50.220000022351741        52.219999977648257     
 Changed Go   51.219999999999999        51.219999999999999     
 Changed Gop  0.85892781019208964       0.85892781030452781     
 Changed eta   1.6593705262680691        1.6593704578328032       -3.6000000000000014        700.00000000000000        0.0000000000000000     
 Looping back for species.  Differences: fa             2
 Theta   3.9878686948213726E-006
 Vo   0.0000000000000000        46.289999999999999        46.289999999999999     
 Gamma   6.8142405273974305E-008
 q   2.7076005659765201E-007
 eta   6.8435265898614261E-008
 Ko   1.9461239730844682E-007
 Kop   3.0999370181916674E-008
 Go   0.0000000000000000     
 Gop   1.1243816988582012E-010
fa    46.29 136.49   4.88 618.96   1.08   2.88  51.22   0.86   1.66
 After Vo block
 Changed Ko adiab   136.48558136966534        136.48558123058783     
 Changed Kop adiabatic   4.8815692853824970        4.8815692863567195     
 Changed theta cal   618.96115601249107        618.96115782927495       -0.0000000000000000        349.15693015177084        349.15693066427082       -5.1249998023195076E-007   0.0000000000000000        1000.0000000000000      fa                                                                              
 gaminv   1.0828800269648613        1123.0000000000000        47.520120874420023        47.520120874420023        46.289999999999999        46.293397989368039        1.0264988732374694        1.0265272453903969       -2.8372152927502725E-005
 gaminv   1.0848800270598562        1123.0000000000000        47.522754668492219        47.522754668492219        46.289999999999999        46.293404267819646        1.0265556275265577        1.0265272453903969        2.8382136160853833E-005
 gaminv   1.0828800269648613        1123.0000000000000        47.520120874420023        47.520120874420023        46.289999999999999        46.293397989368032        1.0264988732374696        1.0265272453903969       -2.8372152927280681E-005
 gaminv   1.0848800270598562        1123.0000000000000        47.522754668492219        47.522754668492219        46.289999999999999        46.293404267819646        1.0265556275265577        1.0265272453903969        2.8382136160853833E-005
 gaminv   1.0838798511096348        1123.0000000000000        47.521437317543466        47.521437317543466        46.289999999999999        46.293401128040344        1.0265272405910848        1.0265272453903969       -4.7993120588785132E-009
 gaminv   1.0838800202356265        1123.0000000000000        47.521437540264962        47.521437540264962        46.289999999999999        46.293401128571269        1.0265272453903971        1.0265272453903969        2.2204460492503131E-016
 gaminv   1.0838799552023275        1123.0000000000000        47.521437454622806        47.521437454622806        46.289999999999999        46.293401128367123        1.0265272435449375        1.0265272453903969       -1.8454593408989695E-009
 Changed gamma   1.0838800202356265        1.0838800270123587     
 qinv final   2.7805526562333274        0.0000000000000000        700.00000000000000        129.02713507373005        137.56999998767679        4.3516439012733521        4.4021818967379565        5445.2002077012012        5590.2068349821111       -8.5428649139467439       -8.6999999999999886       0.15713508605324478     
 qinv final   2.9805526657328176        0.0000000000000000        700.00000000000000        128.71283966383027        137.56999998767679        4.3515218176944002        4.4021818967379565        5438.6405102002336        5590.2068349821111       -8.8571603238465286       -8.6999999999999886      -0.15716032384654000     
   2.7805526562333274        2.9805526657328176     
 qinv final   2.7805526562333274        0.0000000000000000        700.00000000000000        129.02713507373005        137.56999998767679        4.3516439012733521        4.4021818967379565        5445.2002077012012        5590.2068349821111       -8.5428649139467439       -8.6999999999999886       0.15713508605324478     
 qinv final   2.9805526657328176        0.0000000000000000        700.00000000000000        128.71283966383027        137.56999998767679        4.3515218176944002        4.4021818967379565        5438.6405102002336        5590.2068349821111       -8.8571603238465286       -8.6999999999999886      -0.15716032384654000     
 qinv final   2.8805446310234553        0.0000000000000000        700.00000000000000        128.87001265018077        137.56999998767679        4.3515829426481103        4.4021818967379565        5441.9218751325288        5590.2068349821111       -8.6999873374960259       -8.6999999999999886        1.2662503962701521E-005
 qinv final   2.8805526887324842        0.0000000000000000        700.00000000000000        128.86999998767834        137.56999998767679        4.3515829377295505        4.4021818967379565        5441.9216108519768        5590.2068349821111       -8.6999999999984539       -8.6999999999999886        1.5347723092418164E-012
 qinv final   2.8805528615661391        0.0000000000000000        700.00000000000000        128.86999971607426        137.56999998767679        4.3515829376240500        4.4021818967379565        5441.9216051832964        5590.2068349821111       -8.7000002716025335       -8.6999999999999886       -2.7160254489899671E-007
 Changed q   2.8805526887324842        2.8805526609830725     
 before goinv   51.219999999999999        9.9999997764825821E-003   50.220000022351741        52.219999977648257     
 Changed Go   51.219999999999999        51.219999999999999     
 Changed Gop  0.85892781003347662       0.85892781019208964     
 Changed eta   1.6593705317158407        1.6593705262680691       -3.6000000000000014        700.00000000000000        0.0000000000000000     
 Looping back for species.  Differences: fa             3
 Theta   1.8167838788940571E-006
 Vo   0.0000000000000000        46.289999999999999        46.289999999999999     
 Gamma   6.7767322864398238E-009
 q   2.7749411657396195E-008
 eta   5.4477715671907845E-009
 Ko   1.3907751394981460E-007
 Kop   9.7422248046541426E-010
 Go   0.0000000000000000     
 Gop   1.5861301161379515E-010
fa    46.29 136.49   4.88 618.96   1.08   2.88  51.22   0.86   1.66
 After Vo block
 Changed Ko adiab   136.48558138198410        136.48558136966534     
 Changed Kop adiabatic   4.8815692853253712        4.8815692853824970     
 Changed theta cal   618.96115579944444        618.96115601249107       -0.0000000000000000        349.15693060417209        349.15693066427082       -6.0098727772128768E-008   0.0000000000000000        1000.0000000000000      fa                                                                              
 gaminv   1.0828800201881290        1123.0000000000000        47.520120866435931        47.520120866435931        46.289999999999999        46.293397989346907        1.0264988730654707        1.0265272453903969       -2.8372324926140280E-005
 gaminv   1.0848800202831239        1123.0000000000000        47.522754660506706        47.522754660506706        46.289999999999999        46.293404267798536        1.0265556273545280        1.0265272453903969        2.8381964131130033E-005
 gaminv   1.0828800201881290        1123.0000000000000        47.520120866435931        47.520120866435931        46.289999999999999        46.293397989346907        1.0264988730654707        1.0265272453903969       -2.8372324926140280E-005
 gaminv   1.0848800202831239        1123.0000000000000        47.522754660506706        47.522754660506706        46.289999999999999        46.293404267798536        1.0265556273545280        1.0265272453903969        2.8381964131130033E-005
 gaminv   1.0838798503946223        1123.0000000000000        47.521437317541320        47.521437317541320        46.289999999999999        46.293401128038255        1.0265272405910848        1.0265272453903969       -4.7993120588785132E-009
 gaminv   1.0838800195206137        1123.0000000000000        47.521437540262824        47.521437540262824        46.289999999999999        46.293401128569180        1.0265272453903971        1.0265272453903969        2.2204460492503131E-016
 gaminv   1.0838799544873150        1123.0000000000000        47.521437454620660        47.521437454620660        46.289999999999999        46.293401128365026        1.0265272435449377        1.0265272453903969       -1.8454591188543645E-009
 Changed gamma   1.0838800195206137        1.0838800202356265     
 qinv final   2.7805526839827390        0.0000000000000000        700.00000000000000        129.02713504553344        137.56999999871041        4.3516439012932686        4.4021818967379565        5445.2002070937642        5590.2068352062888       -8.5428649531769736       -8.6999999999999886       0.15713504682301505     
 qinv final   2.9805526934822293        0.0000000000000000        700.00000000000000        128.71283963582920        137.56999999871041        4.3515218177144162        4.4021818967379565        5438.6405095961463        5590.2068352062888       -8.8571603628812170       -8.6999999999999886      -0.15716036288122837     
   2.7805526839827390        2.9805526934822293     
 qinv final   2.7805526839827390        0.0000000000000000        700.00000000000000        129.02713504553344        137.56999999871041        4.3516439012932686        4.4021818967379565        5445.2002070937642        5590.2068352062888       -8.5428649531769736       -8.6999999999999886       0.15713504682301505     
 qinv final   2.9805526934822293        0.0000000000000000        700.00000000000000        128.71283963582920        137.56999999871041        4.3515218177144162        4.4021818967379565        5438.6405095961463        5590.2068352062888       -8.8571603628812170       -8.6999999999999886      -0.15716036288122837     
 qinv final   2.8805446338711551        0.0000000000000000        700.00000000000000        128.87001266121419        137.56999999871041        4.3515829426832759        4.4021818967379565        5441.9218753434998        5590.2068352062888       -8.6999873374962249       -8.6999999999999886        1.2662503763749555E-005
 qinv final   2.8805526915800628        0.0000000000000000        700.00000000000000        128.86999999871196        137.56999999871030        4.3515829377647153        4.4021818967379556        5441.9216110629523        5590.2068352062879       -8.6999999999983402       -8.6999999999999886        1.6484591469634324E-012
 qinv final   2.8805528644137182        0.0000000000000000        700.00000000000000        128.86999972710808        137.56999999871041        4.3515829376592157        4.4021818967379565        5441.9216053942755        5590.2068352062888       -8.7000002716023346       -8.6999999999999886       -2.7160234594703070E-007
 Changed q   2.8805526915800628        2.8805526887324842     
 before goinv   51.219999999999999        9.9999997764825821E-003   50.220000022351741        52.219999977648257     
 Changed Go   51.219999999999999        51.219999999999999     
 Changed Gop  0.85892781001909746       0.85892781003347662     
 Changed eta   1.6593705322723031        1.6593705317158407       -3.6000000000000014        700.00000000000000        0.0000000000000000     
mgwa  40.52 168.70   4.12 845.20   1.20   2.21 112.00   1.51   2.56
 After Vo block
 Changed Ko adiab   168.70105194382199        168.70106000000001     
 Changed Kop adiabatic   4.1230335879813813        4.1230300000000000     
 gaminv   1.2028799999525026        1073.0000000000000        41.468521598117910        41.468521598117910        40.515000000000001        40.509011429458006        1.0236863387873778        1.0237082137034559       -2.1874916078079565E-005
 gaminv   1.2048800000474975        1073.0000000000000        41.470287302272652        41.470287302272652        40.515000000000001        40.509001480412550        1.0237301781512664        1.0237082137034559        2.1964447810551846E-005
 gaminv   1.2028799999525026        1073.0000000000000        41.468521598117910        41.468521598117910        40.515000000000001        40.509011429458013        1.0236863387873776        1.0237082137034559       -2.1874916078301609E-005
 gaminv   1.2048800000474975        1073.0000000000000        41.470287302272652        41.470287302272652        40.515000000000001        40.509001480412550        1.0237301781512664        1.0237082137034559        2.1964447810551846E-005
 gaminv   1.2038779577318519        1073.0000000000000        41.469402552324276        41.469402552324276        40.515000000000001        40.509006465090756        1.0237082113593963        1.0237082137034559       -2.3440596130797076E-009
 gaminv   1.2038780646704828        1073.0000000000000        41.469402646735226        41.469402646735226        40.515000000000001        40.509006464558780        1.0237082137034561        1.0237082137034559        2.2204460492503131E-016
 Changed gamma   1.2038780646704828        1.2038800000000001     
 qinv final   2.1100699952502548        0.0000000000000000        900.00000000000000        158.52751449649384        169.99999582368238        3.4130441590193414        3.4726644452671849        6815.2434111887615        6996.6966515801996       -15.881791893351959       -16.200000000000003       0.31820810664804355     
 qinv final   2.3100700047497451        0.0000000000000000        900.00000000000000        157.93232971147077        169.99999582368261        3.4128226000566242        3.4726644452671853        6802.6584120339376        6996.6966515802033       -16.518438962653391       -16.200000000000003      -0.31843896265338856     
   2.1100699952502548        2.3100700047497451     
 qinv final   2.1100699952502548        0.0000000000000000        900.00000000000000        158.52751449649384        169.99999582368238        3.4130441590193414        3.4726644452671849        6815.2434111887615        6996.6966515801996       -15.881791893351959       -16.200000000000003       0.31820810664804355     
 qinv final   2.3100700047497451        0.0000000000000000        900.00000000000000        157.93232971147077        169.99999582368261        3.4128226000566242        3.4726644452671853        6802.6584120339376        6996.6966515802033       -16.518438962653391       -16.200000000000003      -0.31843896265338856     
 qinv final   2.2100337387765623        0.0000000000000000        900.00000000000000        158.23009407336272        169.99999582368238        3.4129336457206612        3.4726644452671849        6808.9574580385215        6996.6966515801996       -16.199875916377408       -16.200000000000003        1.2408362259463956E-004
 qinv final   2.2100727191436773        0.0000000000000000        900.00000000000000        158.22997807083703        169.99999582368238        3.4129336025386423        3.4726644452671849        6808.9550052027316        6996.6966515801996       -16.199999999905543       -16.200000000000003        9.4459551291947719E-011
 qinv final   2.2100728517485355        0.0000000000000000        900.00000000000000        158.22997767621536        169.99999582368238        3.4129336023917438        3.4726644452671849        6808.9549968585825        6996.6966515801996       -16.200000422017496       -16.200000000000003       -4.2201749295145419E-007
 Changed q   2.2100727191436773        2.2100700000000000     
 before goinv   112.00000000000000        9.9999997764825821E-003   111.00000002235174        112.99999997764826     
 Changed Go   111.99999999999991        112.00000000000000     
 Changed Gop   1.5097344321913084        1.5097300000000000     
 Changed eta   2.5613297912723341        2.5613299999999999       -10.199999999999999        900.00000000000000        0.0000000000000000     
 Looping back for species.  Differences: mgwa           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        40.515000000000001        40.515000000000001     
 Gamma   1.9353295173107909E-006
 q   2.7191436773321698E-006
 eta   2.0872766581803148E-007
 Ko   8.0561780180232745E-006
 Kop   3.5879813813366468E-006
 Go   8.5265128291212022E-014
 Gop   4.4321913084122144E-006
mgwa  40.52 168.70   4.12 845.20   1.20   2.21 112.00   1.51   2.56
 After Vo block
 Changed Ko adiab   168.70105612013600        168.70105194382199     
 Changed Kop adiabatic   4.1230335373980456        4.1230335879813813     
 gaminv   1.2028780646229853        1073.0000000000000        41.468519930713668        41.468519930713668        40.515000000000001        40.509011439235906        1.0236862973789682        1.0237082137034559       -2.1916324487669669E-005
 gaminv   1.2048780647179802        1073.0000000000000        41.470285634352877        41.470285634352877        40.515000000000001        40.509001490190656        1.0237301367301042        1.0237082137034559        2.1923026648273947E-005
 gaminv   1.2028780646229853        1073.0000000000000        41.468519930713668        41.468519930713668        40.515000000000001        40.509011439235906        1.0236862973789682        1.0237082137034559       -2.1916324487669669E-005
 gaminv   1.2048780647179802        1073.0000000000000        41.470285634352877        41.470285634352877        40.515000000000001        40.509001490190656        1.0237301367301042        1.0237082137034559        2.1923026648273947E-005
 gaminv   1.2038779117904617        1073.0000000000000        41.469402552712047        41.469402552712047        40.515000000000001        40.509006465469959        1.0237082113593858        1.0237082137034559       -2.3440700491761390E-009
 gaminv   1.2038780187295566        1073.0000000000000        41.469402647123410        41.469402647123410        40.515000000000001        40.509006464937976        1.0237082137034561        1.0237082137034559        2.2204460492503131E-016
 Changed gamma   1.2038780187295566        1.2038780646704828     
 qinv final   2.1100727143939322        0.0000000000000000        900.00000000000000        158.52751097485844        169.99999990085894        3.4130441600226376        3.4726644452671849        6815.2433344878891        6996.6967354824583       -15.881799691749933       -16.200000000000003       0.31820030825006995     
 qinv final   2.3100727238934224        0.0000000000000000        900.00000000000000        157.93232621119591        169.99999990085894        3.4128226010670755        3.4726644452671849        6802.6583356427855        6996.6967354824583       -16.518446739815801       -16.200000000000003      -0.31844673981579774     
   2.1100727143939322        2.3100727238934224     
 qinv final   2.1100727143939322        0.0000000000000000        900.00000000000000        158.52751097485844        169.99999990085894        3.4130441600226376        3.4726644452671849        6815.2433344878891        6996.6967354824583       -15.881799691749933       -16.200000000000003       0.31820030825006995     
 qinv final   2.3100727238934224        0.0000000000000000        900.00000000000000        157.93232621119591        169.99999990085894        3.4128226010670755        3.4726644452671849        6802.6583356427855        6996.6967354824583       -16.518446739815801       -16.200000000000003      -0.31844673981579774     
 qinv final   2.2100340114204293        0.0000000000000000        900.00000000000000        158.23009784299367        169.99999990085894        3.4129336494377256        3.4726644452671849        6808.9575354380449        6996.6967354824583       -16.199875916390027       -16.200000000000003        1.2408360997540058E-004
 qinv final   2.2100729917856237        0.0000000000000000        900.00000000000000        158.22998184047927        169.99999990085894        3.4129336062557147        3.4726644452671849        6808.9550826025215        6996.6967354824583       -16.199999999905344       -16.200000000000003        9.4658503257960547E-011
 qinv final   2.2100731243904983        0.0000000000000000        900.00000000000000        158.22998144585742        169.99999990085894        3.4129336061088167        3.4726644452671849        6808.9550742583688        6996.6967354824583       -16.200000422017467       -16.200000000000003       -4.2201746452974476E-007
 Changed q   2.2100729917856237        2.2100727191436773     
 before goinv   111.99999999999991        9.9999997764825821E-003   111.00000002235166        112.99999997764817     
 Changed Go   111.99999999999991        111.99999999999991     
 Changed Gop   1.5097344237986299        1.5097344321913084     
 Changed eta   2.5613298835384359        2.5613297912723341       -10.199999999999999        900.00000000000000        0.0000000000000000     
 Looping back for species.  Differences: mgwa           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        40.515000000000001        40.515000000000001     
 Gamma   4.5940926174381502E-008
 q   2.7264194635279182E-007
 eta   9.2266101869853401E-008
 Ko   4.1763140075090632E-006
 Kop   5.0583335742260260E-008
 Go   0.0000000000000000     
 Gop   8.3926785521271086E-009
mgwa  40.52 168.70   4.12 845.20   1.20   2.21 112.00   1.51   2.56
 After Vo block
 Changed Ko adiab   168.70105621927348        168.70105612013600     
 Changed Kop adiabatic   4.1230335381169692        4.1230335373980456     
 gaminv   1.2028780186820591        1073.0000000000000        41.468519896324338        41.468519896324338        40.515000000000001        40.509011439468189        1.0236862965241678        1.0237082137034559       -2.1917179288122313E-005
 gaminv   1.2048780187770540        1073.0000000000000        41.470285599972449        41.470285599972449        40.515000000000001        40.509001490422961        1.0237301358755226        1.0237082137034559        2.1922172066757284E-005
 gaminv   1.2028780186820591        1073.0000000000000        41.468519896324338        41.468519896324338        40.515000000000001        40.509011439468196        1.0236862965241675        1.0237082137034559       -2.1917179288344357E-005
 gaminv   1.2048780187770540        1073.0000000000000        41.470285599972449        41.470285599972449        40.515000000000001        40.509001490422961        1.0237301358755226        1.0237082137034559        2.1922172066757284E-005
 gaminv   1.2038779048414971        1073.0000000000000        41.469402552751276        41.469402552751276        40.515000000000001        40.509006465508286        1.0237082113593856        1.0237082137034559       -2.3440702712207440E-009
 gaminv   1.2038780117806007        1073.0000000000000        41.469402647162660        41.469402647162660        40.515000000000001        40.509006464976309        1.0237082137034563        1.0237082137034559        4.4408920985006262E-016
 Changed gamma   1.2038780117806007        1.2038780187295566     
 qinv final   2.1100729870358785        0.0000000000000000        900.00000000000000        158.52751029678740        169.99999998500107        3.4130441601240675        3.4726644452671849        6815.2433198111730        6996.6967372139788       -15.881800456761994       -16.200000000000003       0.31819954323800914     
 qinv final   2.3100729965353688        0.0000000000000000        900.00000000000000        157.93232553645163        169.99999998500130        3.4128226011692497        3.4726644452671853        6802.6583210092413        6996.6967372139834       -16.518447501346088       -16.200000000000003      -0.31844750134608546     
   2.1100729870358785        2.3100729965353688     
 qinv final   2.1100729870358785        0.0000000000000000        900.00000000000000        158.52751029678740        169.99999998500107        3.4130441601240675        3.4726644452671849        6815.2433198111730        6996.6967372139788       -15.881800456761994       -16.200000000000003       0.31819954323800914     
 qinv final   2.3100729965353688        0.0000000000000000        900.00000000000000        157.93232553645163        169.99999998500130        3.4128226011692497        3.4726644452671853        6802.6583210092413        6996.6967372139834       -16.518447501346088       -16.200000000000003      -0.31844750134608546     
 qinv final   2.2100340442837130        0.0000000000000000        900.00000000000000        158.23009788014747        169.99999998500107        3.4129336498051499        3.4726644452671849        6808.9575358709326        6996.6967372139788       -16.199875916391619       -16.200000000000003        1.2408360838378485E-004
 qinv final   2.2100730246486933        0.0000000000000000        900.00000000000000        158.22998187763440        169.99999998500107        3.4129336066231404        3.4726644452671849        6808.9550830354356        6996.6967372139788       -16.199999999905401       -16.200000000000003        9.4601659839099739E-011
 qinv final   2.2100731572535701        0.0000000000000000        900.00000000000000        158.22998148301266        169.99999998500107        3.4129336064762423        3.4726644452671849        6808.9550746912855        6996.6967372139788       -16.200000422017439       -16.200000000000003       -4.2201743610803533E-007
 Changed q   2.2100730246486933        2.2100729917856237     
 before goinv   111.99999999999991        9.9999997764825821E-003   111.00000002235166        112.99999997764817     
 Changed Go   111.99999999999991        111.99999999999991     
 Changed Gop   1.5097344236155852        1.5097344237986299     
 Changed eta   2.5613298957802026        2.5613298835384359       -10.199999999999999        900.00000000000000        0.0000000000000000     
fewa  42.80 168.58   4.12 647.35   1.20   2.21  72.00   1.51   0.95
 After Vo block
 Changed Ko adiab   168.57920970305921        168.57920999999999     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop intraphase   4.1230335381169692        4.1230300000000000                8           7           4
 Changed gamma intraphase   1.2038780117806007     
 Changed q intraphase   2.2100730246486933     
 before goinv   72.000000000000000        9.9999997764825821E-003   71.000000022351742        72.999999977648258     
 Changed Go   72.000000000000000        72.000000000000000     
 Changed Gop intraphase   1.5097344236155852     
 Changed eta systematics  0.95245965248898301       0.95245999999999997       -7.5600003004074097        300.00000000000000        1000.0000000000000        0.0000000000000000     
mgri  39.49 184.90   4.22 875.14   1.11   2.39 123.00   1.35   2.30
 After Vo block
 Changed Ko adiab   184.89993107162033        184.89993000000001     
 Changed Kop adiabatic   4.2203437957494074        4.2203400000000002     
 gaminv   1.1061999999525025        1023.0000000000000        40.219959802144338        40.219959802144338        39.493000000000002        39.490887979293788        1.0184617733395314        1.0184799898070975       -1.8216467566167793E-005
 gaminv   1.1082000000474974        1023.0000000000000        40.221394426717247        40.221394426717247        39.493000000000002        39.490884161925756        1.0184981997819080        1.0184799898070975        1.8209974810501350E-005
 gaminv   1.1061999999525025        1023.0000000000000        40.219959802144338        40.219959802144338        39.493000000000002        39.490887979293781        1.0184617733395316        1.0184799898070975       -1.8216467565945749E-005
 gaminv   1.1082000000474974        1023.0000000000000        40.221394426717247        40.221394426717247        39.493000000000002        39.490884161925756        1.0184981997819080        1.0184799898070975        1.8209974810501350E-005
 gaminv   1.1072001782429282        1023.0000000000000        40.220677175754609        40.220677175754609        39.493000000000002        39.490886070268964        1.0184799881214890        1.0184799898070975       -1.6856085416350197E-009
 gaminv   1.1072002707829895        1023.0000000000000        40.220677242134734        40.220677242134734        39.493000000000002        39.490886070092330        1.0184799898069417        1.0184799898070975       -1.5587531265737198E-013
 gaminv   1.1072003372155035        1023.0000000000000        40.220677289787588        40.220677289787588        39.493000000000002        39.490886069965534        1.0184799910168916        1.0184799898070975        1.2097940427224785E-009
 Changed gamma   1.1072002707829895        1.1072000000000000     
 qinv final   2.2904199952502551        0.0000000000000000        923.00000000000000        173.82655221209231        186.00000053807597        3.5082335924333199        3.5624794267338515        7039.0460550868593        7225.7060542101117       -12.173448325983657       -12.460000000000001       0.28655167401634429     
 qinv final   2.4904200047497453        0.0000000000000000        923.00000000000000        173.25333602269569        186.00000053807597        3.5080571809576986        3.5624794267338515        7027.6070693239171        7225.7060542101117       -12.746664515380274       -12.460000000000001      -0.28666451538027360     
   2.2904199952502551        2.4904200047497453     
 qinv final   2.2904199952502551        0.0000000000000000        923.00000000000000        173.82655221209231        186.00000053807597        3.5082335924333199        3.5624794267338515        7039.0460550868593        7225.7060542101117       -12.173448325983657       -12.460000000000001       0.28655167401634429     
 qinv final   2.4904200047497453        0.0000000000000000        923.00000000000000        173.25333602269569        186.00000053807597        3.5080571809576986        3.5624794267338515        7027.6070693239171        7225.7060542101117       -12.746664515380274       -12.460000000000001      -0.28666451538027360     
 qinv final   2.3904003143436325        0.0000000000000000        923.00000000000000        173.54004598131203        186.00000053807597        3.5081455590855026        3.5624794267338515        7033.3309229447705        7225.7060542101117       -12.459954556763932       -12.460000000000001        4.5443236068365422E-005
 qinv final   2.3904161698770410        0.0000000000000000        923.00000000000000        173.54000053809040        186.00000053807597        3.5081455451000658        3.5624794267338515        7033.3300160895824        7225.7060542101117       -12.459999999985570       -12.460000000000001        1.4431122963287635E-011
 qinv final   2.3904163133025063        0.0000000000000000        923.00000000000000        173.54000012702150        186.00000053807597        3.5081455449735568        3.5624794267338515        7033.3300078863786        7225.7060542101117       -12.460000411054466       -12.460000000000001       -4.1105446513256538E-007
 Changed q   2.3904161698770410        2.3904200000000002     
 before goinv   123.00000000000000        9.9999997764825821E-003   122.00000002235174        123.99999997764826     
 Changed Go   122.99999999999993        123.00000000000000     
 Changed Gop   1.3541236879103098        1.3541200000000000     
 Changed eta   2.3028779177554695        2.3028800000000000       -9.3449999999999989        923.00000000000000        0.0000000000000000     
 Looping back for species.  Differences: mgri           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        39.493000000000002        39.493000000000002     
 Gamma   2.7078298958649327E-007
 q   3.8301229592363484E-006
 eta   2.0822445305768156E-006
 Ko   1.0716203178162687E-006
 Kop   3.7957494072315967E-006
 Go   7.1054273576010019E-014
 Gop   3.6879103098019783E-006
mgri  39.49 184.90   4.22 875.14   1.11   2.39 123.00   1.35   2.30
 After Vo block
 Changed Ko adiab   184.89993053354235        184.89993107162033     
 Changed Kop adiabatic   4.2203437760204086        4.2203437957494074     
 gaminv   1.1062002707354921        1023.0000000000000        40.219959943305035        40.219959943305035        39.493000000000002        39.490887978770367        1.0184617769275435        1.0184799898070975       -1.8212879554058148E-005
 gaminv   1.1082002708304870        1023.0000000000000        40.221394567720594        40.221394567720594        39.493000000000002        39.490884161402327        1.0184982033659367        1.0184799898070975        1.8213558839130783E-005
 gaminv   1.1062002707354921        1023.0000000000000        40.219959943305035        40.219959943305035        39.493000000000002        39.490887978770360        1.0184617769275437        1.0184799898070975       -1.8212879553836103E-005
 gaminv   1.1082002708304870        1023.0000000000000        40.221394567720594        40.221394567720594        39.493000000000002        39.490884161402327        1.0184982033659367        1.0184799898070975        1.8213558839130783E-005
 gaminv   1.1072002521348494        1023.0000000000000        40.220677175604322        40.220677175604322        39.493000000000002        39.490886070121348        1.0184799881214903        1.0184799898070975       -1.6856072093673902E-009
 gaminv   1.1072003446834149        1023.0000000000000        40.220677241990543        40.220677241990543        39.493000000000002        39.490886069944700        1.0184799898070980        1.0184799898070975        4.4408920985006262E-016
 Changed gamma   1.1072003446834149        1.1072002707829895     
 qinv final   2.2904161651272958        0.0000000000000000        923.00000000000000        173.82656219295171        186.00000014684693        3.5082335918111567        3.5624794267338515        7039.0462577967446        7225.7060466109024       -12.173437953895217       -12.460000000000001       0.28656204610478397     
 qinv final   2.4904161746267861        0.0000000000000000        923.00000000000000        173.25334596703360        186.00000014684693        3.5080571803317544        3.5624794267338515        7027.6072716350209        7225.7060466109024       -12.746654179813333       -12.460000000000001      -0.28665417981333263     
   2.2904161651272958        2.4904161746267861     
 qinv final   2.2904161651272958        0.0000000000000000        923.00000000000000        173.82656219295171        186.00000014684679        3.5082335918111567        3.5624794267338511        7039.0462577967446        7225.7060466108996       -12.173437953895075       -12.460000000000001       0.28656204610492608     
 qinv final   2.4904161746267861        0.0000000000000000        923.00000000000000        173.25334596703360        186.00000014684693        3.5080571803317544        3.5624794267338515        7027.6072716350209        7225.7060466109024       -12.746654179813333       -12.460000000000001      -0.28665417981333263     
 qinv final   2.3904000967603674        0.0000000000000000        923.00000000000000        173.54004559008857        186.00000014684679        3.5081455552749992        3.5624794267338511        7033.3309188366629        7225.7060466108996       -12.459954556758220       -12.460000000000001        4.5443241781129018E-005
 qinv final   2.3904159522945769        0.0000000000000000        923.00000000000000        173.54000014686142        186.00000014684693        3.5081455412895601        3.5624794267338515        7033.3300119813639        7225.7060466109024       -12.459999999985513       -12.460000000000001        1.4487966382148443E-011
 qinv final   2.3904160957200289        0.0000000000000000        923.00000000000000        173.53999973579252        186.00000014684693        3.5081455411630511        3.5624794267338515        7033.3300037781601        7225.7060466109024       -12.460000411054409       -12.460000000000001       -4.1105440828914652E-007
 Changed q   2.3904159522945769        2.3904161698770410     
 before goinv   122.99999999999993        9.9999997764825821E-003   122.00000002235167        123.99999997764819     
 Changed Go   122.99999999999993        122.99999999999993     
 Changed Gop   1.3541236886898904        1.3541236879103098     
 Changed eta   2.3028778020277922        2.3028779177554695       -9.3449999999999989        923.00000000000000        0.0000000000000000     
feri  41.86 213.41   4.22 662.84   1.27   2.39  92.00   1.35   1.77
 After Vo block
 Changed Ko adiab   213.41027406353831        213.41028000000000     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop intraphase   4.2203437760204086        4.2203400000000002               10           9           5
 gaminv   1.2648399999525026        673.00000000000000        42.220654786858937        42.220654786858937        41.859999999999999        41.858361778153551        1.0086552123235379        1.0086623024800037       -7.0901564657166460E-006
 gaminv   1.2668400000474975        673.00000000000000        42.221248376746395        42.221248376746395        41.859999999999999        41.858359188272132        1.0086694556478444        1.0086623024800037        7.1531678407232846E-006
 gaminv   1.2648399999525026        673.00000000000000        42.220654786858937        42.220654786858937        41.859999999999999        41.858361778153551        1.0086552123235379        1.0086623024800037       -7.0901564657166460E-006
 gaminv   1.2668400000474975        673.00000000000000        42.221248376746395        42.221248376746395        41.859999999999999        41.858359188272132        1.0086694556478444        1.0086623024800037        7.1531678407232846E-006
 gaminv   1.2658355760764382        673.00000000000000        42.220950258394502        42.220950258394502        41.859999999999999        41.858360488941344        1.0086623022310908        1.0086623024800037       -2.4891289029937980E-010
 gaminv   1.2658356520270699        673.00000000000000        42.220950280936258        42.220950280936258        41.859999999999999        41.858360488842976        1.0086623027719857        1.0086623024800037        2.9198199413826842E-010
 Changed gamma   1.2658355760764382        1.2658400000000001     
 Changed q intraphase   2.3904159522945769     
 before goinv   92.000000000000000        9.9999997764825821E-003   91.000000022351742        92.999999977648258     
 Changed Go   92.000000000000000        92.000000000000000     
 Changed Gop intraphase   1.3541236886898904     
 Changed eta systematics   1.7706642264064818        1.7706599999999999       -9.6600003838539124        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: feri           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        41.859999999999999        41.859999999999999     
 Gamma   4.4239235619247808E-006
 q   0.0000000000000000     
 eta   4.2264064818997582E-006
 Ko   5.9364616902257694E-006
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
feri  41.86 213.41   4.22 662.84   1.27   2.39  92.00   1.35   1.77
 After Vo block
 Changed Ko adiab   213.41028517523284        213.41027406353831     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop intraphase   4.2203437760204086        4.2203437760204086               10           9           5
 gaminv   1.2648355760289407        673.00000000000000        42.220653441394823        42.220653441394823        41.859999999999999        41.858361783967290        1.0086551800401873        1.0086623024800037       -7.1224398163760583E-006
 gaminv   1.2668355761239356        673.00000000000000        42.221247031020013        42.221247031020013        41.859999999999999        41.858359194086013        1.0086694233582207        1.0086623024800037        7.1208782170817386E-006
 gaminv   1.2648355760289407        673.00000000000000        42.220653441394823        42.220653441394823        41.859999999999999        41.858361783967290        1.0086551800401873        1.0086623024800037       -7.1224398163760583E-006
 gaminv   1.2668355761239356        673.00000000000000        42.221247031020013        42.221247031020013        41.859999999999999        41.858359194086013        1.0086694233582207        1.0086623024800037        7.1208782170817386E-006
 gaminv   1.2658356857137687        673.00000000000000        42.220950258336941        42.220950258336941        41.859999999999999        41.858360488884443        1.0086623022310868        1.0086623024800037       -2.4891688710226845E-010
 gaminv   1.2658357616644071        673.00000000000000        42.220950280878697        42.220950280878697        41.859999999999999        41.858360488786090        1.0086623027719814        1.0086623024800037        2.9197777529077484E-010
 Changed gamma   1.2658356857137687        1.2658355760764382     
 Changed q intraphase   2.3904159522945769     
 before goinv   92.000000000000000        9.9999997764825821E-003   91.000000022351742        92.999999977648258     
 Changed Go   92.000000000000000        92.000000000000000     
 Changed Gop intraphase   1.3541236886898904     
 Changed eta systematics   1.7706640611439066        1.7706642264064818       -9.6600003838539124        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: feri           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        41.859999999999999        41.859999999999999     
 Gamma   1.0963733054758507E-007
 q   0.0000000000000000     
 eta   1.6526257518023613E-007
 Ko   1.1111694533383343E-005
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
feri  41.86 213.41   4.22 662.84   1.27   2.39  92.00   1.35   1.77
 After Vo block
 Changed Ko adiab   213.41028489985410        213.41028517523284     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop intraphase   4.2203437760204086        4.2203437760204086               10           9           5
 gaminv   1.2648356856662712        673.00000000000000        42.220653474415464        42.220653474415464        41.859999999999999        41.858361783823206        1.0086551808325253        1.0086623024800037       -7.1216474784030481E-006
 gaminv   1.2668356857612662        673.00000000000000        42.221247064046054        42.221247064046054        41.859999999999999        41.858359193941922        1.0086694241506879        1.0086623024800037        7.1216706842847088E-006
 gaminv   1.2648356856662712        673.00000000000000        42.220653474415464        42.220653474415464        41.859999999999999        41.858361783823206        1.0086551808325253        1.0086623024800037       -7.1216474784030481E-006
 gaminv   1.2668356857612662        673.00000000000000        42.221247064046054        42.221247064046054        41.859999999999999        41.858359193941922        1.0086694241506879        1.0086623024800037        7.1216706842847088E-006
 gaminv   1.2658356840845217        673.00000000000000        42.220950258336941        42.220950258336941        41.859999999999999        41.858360488884443        1.0086623022310868        1.0086623024800037       -2.4891688710226845E-010
 gaminv   1.2658357600351602        673.00000000000000        42.220950280878697        42.220950280878697        41.859999999999999        41.858360488786083        1.0086623027719814        1.0086623024800037        2.9197777529077484E-010
 Changed gamma   1.2658356840845217        1.2658356857137687     
 Changed q intraphase   2.3904159522945769     
 before goinv   92.000000000000000        9.9999997764825821E-003   91.000000022351742        92.999999977648258     
 Changed Go   92.000000000000000        92.000000000000000     
 Changed Gop intraphase   1.3541236886898904     
 Changed eta systematics   1.7706640635445288        1.7706640611439066       -9.6600003838539124        300.00000000000000        1000.0000000000000        0.0000000000000000     
en    62.68 107.08   7.03 812.21   0.78   3.44  76.80   1.55   2.50
 After Vo block
 Changed Ko adiab   107.07681503061238        107.07680999999999     
 Changed Kop adiabatic   7.0275142039355956        7.0275100000000004     
 Changed theta cal   812.21211261175529        812.21226999999999       -0.0000000000000000        392.63541016454877        392.63545849921547       -4.8334666701066453E-005   0.0000000000000000        1000.0000000000000      en                                                                              
 gaminv  0.78376999995250252        1473.0000000000000        65.284139229564303        65.284139229564303        62.676000000000002        62.666983571988482        1.0417629110003257        1.0418365383076216       -7.3627307295875966E-005
 gaminv  0.78577000004749742        1473.0000000000000        65.293310690697751        65.293310690697751        62.676000000000002        62.666960588893922        1.0419096454834174        1.0418365383076216        7.3107175795783519E-005
 gaminv  0.78376999995250252        1473.0000000000000        65.284139229564303        65.284139229564303        62.676000000000002        62.666983571988482        1.0417629110003257        1.0418365383076216       -7.3627307295875966E-005
 gaminv  0.78577000004749742        1473.0000000000000        65.293310690697751        65.293310690697751        62.676000000000002        62.666960588893922        1.0419096454834174        1.0418365383076216        7.3107175795783519E-005
 gaminv  0.78477354471228467        1473.0000000000000        65.288738476929225        65.288738476929225        62.676000000000002        62.666972039690179        1.0418364945984393        1.0418365383076216       -4.3709182273587999E-008
 gaminv  0.78477414011516855        1473.0000000000000        65.288741207297164        65.288741207297164        62.676000000000002        62.666972032848086        1.0418365382816777        1.0418365383076216       -2.5943913684045583E-011
 gaminv  0.78477418720211523        1473.0000000000000        65.288741423226156        65.288741423226156        62.676000000000002        62.666972032307001        1.0418365417363320        1.0418365383076216        3.4287104266894630E-009
 Changed gamma  0.78477414011516855       0.78476999999999997     
 qinv final   3.3384699952502550        0.0000000000000000        1073.0000000000000        87.525810934395864        107.60000558439521        3.1287502777289111        3.2034175761056862        5289.1102643015229        5795.6128930741588       -20.074194649999342       -20.329899999999999       0.25570535000065675     
 qinv final   3.5384700047497453        0.0000000000000000        1073.0000000000000        87.014155250391042        107.60000558439521        3.1283591295798137        3.2034175761056862        5273.9578246380479        5795.6128930741588       -20.585850334004164       -20.329899999999999      -0.25595033400416511     
   3.3384699952502550        3.5384700047497453     
 qinv final   3.3384699952502550        0.0000000000000000        1073.0000000000000        87.525810934395864        107.60000558439521        3.1287502777289111        3.2034175761056867        5289.1102643015229        5795.6128930741588       -20.074194649999342       -20.329899999999999       0.25570535000065675     
 qinv final   3.5384700047497453        0.0000000000000000        1073.0000000000000        87.014155250391042        107.60000558439521        3.1283591295798137        3.2034175761056862        5273.9578246380479        5795.6128930741588       -20.585850334004164       -20.329899999999999      -0.25595033400416511     
 qinv final   3.4384221193601863        0.0000000000000000        1073.0000000000000        87.270231072335335        107.60000558439521        3.1285553776405450        3.2034175761056867        5281.5468869268852        5795.6128930741588       -20.329774512059871       -20.329899999999999        1.2548794012801068E-004
 qinv final   3.4384711711108653        0.0000000000000000        1073.0000000000000        87.270105584558237        107.60000558439521        3.1285552817091302        3.2034175761056867        5281.5431706739537        5795.6128930741588       -20.329899999836968       -20.329899999999999        1.6303047800647619E-010
 qinv final   3.4384713774196283        0.0000000000000000        1073.0000000000000        87.270105056763981        107.60000558439521        3.1285552813056476        3.2034175761056867        5281.5431550436060        5795.6128930741588       -20.329900527631224       -20.329899999999999       -5.2763122582177857E-007
 Changed q   3.4384711711108653        3.4384700000000001     
 before goinv   76.799999999999997        9.9999997764825821E-003   75.800000022351739        77.799999977648255     
 Changed Go   76.799999999999997        76.799999999999997     
 Changed Gop   1.5459579265554300        1.5459600000000000     
 Changed eta   2.5045008861871616        2.5045000000000002       -10.512799999999999        1073.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: en             1
 Theta   1.5738824470190593E-004
 Vo   0.0000000000000000        62.676000000000002        62.676000000000002     
 Gamma   4.1401151685827031E-006
 q   1.1711108651724089E-006
 eta   8.8618716143074039E-007
 Ko   5.0306123853260942E-006
 Kop   4.2039355951928314E-006
 Go   0.0000000000000000     
 Gop   2.0734445700387738E-006
en    62.68 107.08   7.03 812.21   0.78   3.44  76.80   1.55   2.50
 After Vo block
 Changed Ko adiab   107.07680944621504        107.07681503061238     
 Changed Kop adiabatic   7.0275144961965355        7.0275142039355956     
 Changed theta cal   812.21226482735335        812.21211261175529       -0.0000000000000000        392.63550524533832        392.63545849921547        4.6746122848162486E-005   0.0000000000000000        1000.0000000000000      en                                                                              
 gaminv  0.78377414006767110        1473.0000000000000        65.284158474042030        65.284158474042030        62.676000000000002        62.666983525034027        1.0417632188720636        1.0418365383076216       -7.3319435557994694E-005
 gaminv  0.78577414016266600        1473.0000000000000        65.293329982542872        65.293329982542872        62.676000000000002        62.666960541941329        1.0419099541112065        1.0418365383076216        7.3415803584886419E-005
 gaminv  0.78377414006767110        1473.0000000000000        65.284158474042030        65.284158474042030        62.676000000000002        62.666983525034013        1.0417632188720638        1.0418365383076216       -7.3319435557772650E-005
 gaminv  0.78577414016266600        1473.0000000000000        65.293329982542872        65.293329982542872        62.676000000000002        62.666960541941329        1.0419099541112065        1.0418365383076216        7.3415803584886419E-005
 gaminv  0.78477348336746255        1473.0000000000000        65.288738478254515        65.288738478254515        62.676000000000002        62.666972041017935        1.0418364945975136        1.0418365383076216       -4.3710107977545931E-008
 gaminv  0.78477407913655017        1473.0000000000000        65.288741210302192        65.288741210302192        62.676000000000002        62.666972034171629        1.0418365383076262        1.0418365383076216        4.6629367034256575E-015
 gaminv  0.78477403204960705        1473.0000000000000        65.288740994373200        65.288740994373200        62.676000000000002        62.666972034712735        1.0418365348529717        1.0418365383076216       -3.4546498994814101E-009
 Changed gamma  0.78477407913655017       0.78477414011516855     
 qinv final   3.3384711663611202        0.0000000000000000        1073.0000000000000        87.525803683739682        107.59999985662408        3.1287502802142946        3.2034175761056858        5289.1100431252735        5795.6127388179193       -20.074196172884399       -20.329899999999999       0.25570382711559958     
 qinv final   3.5384711758606104        0.0000000000000000        1073.0000000000000        87.014148054549253        107.59999985662424        3.1283591320909681        3.2034175761056862        5273.9576044501027        5795.6127388179229       -20.585851802074984       -20.329899999999999      -0.25595180207498558     
   3.3384711663611202        3.5384711758606104     
 qinv final   3.3384711663611202        0.0000000000000000        1073.0000000000000        87.525803683739682        107.59999985662424        3.1287502802142946        3.2034175761056862        5289.1100431252735        5795.6127388179229       -20.074196172884555       -20.329899999999999       0.25570382711544326     
 qinv final   3.5384711758606104        0.0000000000000000        1073.0000000000000        87.014148054549253        107.59999985662424        3.1283591320909681        3.2034175761056862        5273.9576044501027        5795.6127388179229       -20.585851802074984       -20.329899999999999      -0.25595180207498558     
 qinv final   3.4384227059016164        0.0000000000000000        1073.0000000000000        87.270225344545594        107.59999985662424        3.1285553812820019        3.2034175761056862        5281.5467105318157        5795.6127388179229       -20.329774512078643       -20.329899999999999        1.2548792135547160E-004
 qinv final   3.4384717576504937        0.0000000000000000        1073.0000000000000        87.270099856787198        107.59999985662424        3.1285552853506005        3.2034175761056862        5281.5429942793153        5795.6127388179229       -20.329899999837039       -20.329899999999999        1.6295942373290018E-010
 qinv final   3.4384719639592918        0.0000000000000000        1073.0000000000000        87.270099328992885        107.59999985662424        3.1285552849471179        3.2034175761056862        5281.5429786489649        5795.6127388179229       -20.329900527631352       -20.329899999999999       -5.2763135371947101E-007
 Changed q   3.4384717576504937        3.4384711711108653     
 before goinv   76.799999999999997        9.9999997764825821E-003   75.800000022351739        77.799999977648255     
 Changed Go   76.799999999999997        76.799999999999997     
 Changed Gop   1.5459579452798922        1.5459579265554300     
 Changed eta   2.5045010983390115        2.5045008861871616       -10.512799999999999        1073.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: en             2
 Theta   1.5221559806377627E-004
 Vo   0.0000000000000000        62.676000000000002        62.676000000000002     
 Gamma   6.0978618376950067E-008
 q   5.8653962842214469E-007
 eta   2.1215184986544955E-007
 Ko   5.5843973427727178E-006
 Kop   2.9226093989365154E-007
 Go   0.0000000000000000     
 Gop   1.8724462202968084E-008
en    62.68 107.08   7.03 812.21   0.78   3.44  76.80   1.55   2.50
 After Vo block
 Changed Ko adiab   107.07680958958866        107.07680944621504     
 Changed Kop adiabatic   7.0275144933587761        7.0275144961965355     
 Changed theta cal   812.21226697022166        812.21226482735335       -0.0000000000000000        392.63545915730032        392.63545849921547        6.5808484350782237E-007   0.0000000000000000        1000.0000000000000      en                                                                              
 gaminv  0.78377407908905272        1473.0000000000000        65.284158267280048        65.284158267280048        62.676000000000002        62.666983525762930        1.0417632155605698        1.0418365383076216       -7.3322747051740578E-005
 gaminv  0.78577407918404762        1473.0000000000000        65.293329775737391        65.293329775737391        62.676000000000002        62.666960542670310        1.0419099507990142        1.0418365383076216        7.3412491392588208E-005
 gaminv  0.78377407908905272        1473.0000000000000        65.284158267280048        65.284158267280048        62.676000000000002        62.666983525762930        1.0417632155605698        1.0418365383076216       -7.3322747051740578E-005
 gaminv  0.78577407918404762        1473.0000000000000        65.293329775737391        65.293329775737391        62.676000000000002        62.666960542670310        1.0419099507990142        1.0418365383076216        7.3412491392588208E-005
 gaminv  0.78477346752923582        1473.0000000000000        65.288738478473107        65.288738478473107        62.676000000000002        62.666972041228135        1.0418364945975072        1.0418365383076216       -4.3710114416839474E-008
 gaminv  0.78477406329838195        1473.0000000000000        65.288741210521181        65.288741210521181        62.676000000000002        62.666972034381828        1.0418365383076262        1.0418365383076216        4.6629367034256575E-015
 gaminv  0.78477401621143983        1473.0000000000000        65.288740994592189        65.288740994592189        62.676000000000002        62.666972034922928        1.0418365348529717        1.0418365383076216       -3.4546498994814101E-009
 Changed gamma  0.78477406329838195       0.78477407913655017     
 qinv final   3.3384717529007486        0.0000000000000000        1073.0000000000000        87.525802738213997        107.59999997800607        3.1287502809784917        3.2034175761056858        5289.1100139106829        5795.6127420868925       -20.074197239792070       -20.329899999999999       0.25570276020792804     
 qinv final   3.5384717624002389        0.0000000000000000        1073.0000000000000        87.014147119742930        107.59999997800621        3.1283591328634142        3.2034175761056862        5273.9575754695197        5795.6127420868952       -20.585852858263280       -20.329899999999999      -0.25595285826328151     
   3.3384717529007486        3.5384717624002389     
 qinv final   3.3384717529007486        0.0000000000000000        1073.0000000000000        87.525802738213997        107.59999997800621        3.1287502809784917        3.2034175761056862        5289.1100139106829        5795.6127420868952       -20.074197239792213       -20.329899999999999       0.25570276020778593     
 qinv final   3.5384717624002389        0.0000000000000000        1073.0000000000000        87.014147119742930        107.59999997800621        3.1283591328634142        3.2034175761056862        5273.9575754695197        5795.6127420868952       -20.585852858263280       -20.329899999999999      -0.25595285826328151     
 qinv final   3.4384228774939301        0.0000000000000000        1073.0000000000000        87.270225465920817        107.59999997800621        3.1285553828618218        3.2034175761056862        5281.5467128710925        5795.6127420868952       -20.329774512085393       -20.329899999999999        1.2548791460531561E-004
 qinv final   3.4384719292413961        0.0000000000000000        1073.0000000000000        87.270099978169370        107.59999997800622        3.1285552869304269        3.2034175761056867        5281.5429966187985        5795.6127420868952       -20.329899999836854       -20.329899999999999        1.6314416484419780E-010
 qinv final   3.4384721355502044        0.0000000000000000        1073.0000000000000        87.270099450375142        107.59999997800622        3.1285552865269448        3.2034175761056867        5281.5429809884508        5795.6127420868952       -20.329900527631082       -20.329899999999999       -5.2763108371323142E-007
 Changed q   3.4384719292413961        3.4384717576504937     
 before goinv   76.799999999999997        9.9999997764825821E-003   75.800000022351739        77.799999977648255     
 Changed Go   76.799999999999997        76.799999999999997     
 Changed Gop   1.5459579448350294        1.5459579452798922     
 Changed eta   2.5045011287717323        2.5045010983390115       -10.512799999999999        1073.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: en             3
 Theta   2.1428683112389990E-006
 Vo   0.0000000000000000        62.676000000000002        62.676000000000002     
 Gamma   1.5838168221371518E-008
 q   1.7159090237583996E-007
 eta   3.0432720787842982E-008
 Ko   1.4337362586047675E-007
 Kop   2.8377593608297502E-009
 Go   0.0000000000000000     
 Gop   4.4486281325362143E-010
en    62.68 107.08   7.03 812.21   0.78   3.44  76.80   1.55   2.50
 After Vo block
 Changed Ko adiab   107.07680961158030        107.07680958958866     
 Changed Kop adiabatic   7.0275144934567004        7.0275144933587761     
 Changed theta cal   812.21226651092900        812.21226697022166       -0.0000000000000000        392.63545835816456        392.63545849921547       -1.4105091850069584E-007   0.0000000000000000        1000.0000000000000      en                                                                              
 gaminv  0.78377406325088450        1473.0000000000000        65.284158217269734        65.284158217269734        62.676000000000002        62.666983525943721        1.0417632147595315        1.0418365383076216       -7.3323548090087343E-005
 gaminv  0.78577406334587940        1473.0000000000000        65.293329725742637        65.293329725742637        62.676000000000002        62.666960542851093        1.0419099499982236        1.0418365383076216        7.3411690602043222E-005
 gaminv  0.78377406325088450        1473.0000000000000        65.284158217269734        65.284158217269734        62.676000000000002        62.666983525943721        1.0417632147595315        1.0418365383076216       -7.3323548090087343E-005
 gaminv  0.78577406334587940        1473.0000000000000        65.293329725742637        65.293329725742637        62.676000000000002        62.666960542851093        1.0419099499982236        1.0418365383076216        7.3411690602043222E-005
 gaminv  0.78477346260752590        1473.0000000000000        65.288738478530647        65.288738478530647        62.676000000000002        62.666972041283486        1.0418364945975052        1.0418365383076216       -4.3710116415240918E-008
 gaminv  0.78477405837669056        1473.0000000000000        65.288741210578834        65.288741210578834        62.676000000000002        62.666972034437173        1.0418365383076260        1.0418365383076216        4.4408920985006262E-015
 gaminv  0.78477401128974877        1473.0000000000000        65.288740994649842        65.288740994649842        62.676000000000002        62.666972034978272        1.0418365348529717        1.0418365383076216       -3.4546498994814101E-009
 Changed gamma  0.78477405837669056       0.78477406329838195     
 qinv final   3.3384719244916510        0.0000000000000000        1073.0000000000000        87.525802441532420        107.59999999362263        3.1287502811967220        3.2034175761056858        5289.1100047621176        5795.6127425074665       -20.074197552090212       -20.329899999999999       0.25570244790978691     
 qinv final   3.5384719339911412        0.0000000000000000        1073.0000000000000        87.014146826265588        107.59999999362279        3.1283591330840088        3.2034175761056862        5273.9575663896931        5795.6127425074701       -20.585853167357200       -20.329899999999999      -0.25595316735720175     
   3.3384719244916510        3.5384719339911412     
 qinv final   3.3384719244916510        0.0000000000000000        1073.0000000000000        87.525802441532420        107.59999999362279        3.1287502811967220        3.2034175761056862        5289.1100047621176        5795.6127425074701       -20.074197552090368       -20.329899999999999       0.25570244790963059     
 qinv final   3.5384719339911412        0.0000000000000000        1073.0000000000000        87.014146826265588        107.59999999362279        3.1283591330840088        3.2034175761056862        5273.9575663896931        5795.6127425074701       -20.585853167357200       -20.329899999999999      -0.25595316735720175     
 qinv final   3.4384229276371925        0.0000000000000000        1073.0000000000000        87.270225481535405        107.59999999362279        3.1285553833187452        3.2034175761056862        5281.5467129579019        5795.6127425074701       -20.329774512087383       -20.329899999999999        1.2548791261579595E-004
 qinv final   3.4384719793842464        0.0000000000000000        1073.0000000000000        87.270099993785919        107.59999999362279        3.1285552873873526        3.2034175761056862        5281.5429967056662        5795.6127425074701       -20.329899999836869       -20.329899999999999        1.6312995398948260E-010
 qinv final   3.4384721856930578        0.0000000000000000        1073.0000000000000        87.270099465991620        107.59999999362277        3.1285552869838700        3.2034175761056867        5281.5429810753167        5795.6127425074692       -20.329900527631153       -20.329899999999999       -5.2763115476750500E-007
 Changed q   3.4384719793842464        3.4384719292413961     
 before goinv   76.799999999999997        9.9999997764825821E-003   75.800000022351739        77.799999977648255     
 Changed Go   76.799999999999997        76.799999999999997     
 Changed Gop   1.5459579447708918        1.5459579448350294     
 Changed eta   2.5045011372378423        2.5045011287717323       -10.512799999999999        1073.0000000000000        0.0000000000000000     
fs    65.94 100.55   7.88 682.68   0.72   3.44  52.00   1.55   1.08
 After Vo block
 Changed Ko adiab   100.54590985050919        100.54591000000001     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.95592316529030263     
 Changed Kop compress   7.8753382069102091        7.8753399999999996     
 gaminv  0.71418999995250254        900.00000000000000        67.039405094055212        67.039405094055212        65.941000000000003        65.931361449911506        1.0168060179522531        1.0168325982224207       -2.6580270167553266E-005
 gaminv  0.71619000004749744        900.00000000000000        67.042892347577748        67.042892347577748        65.941000000000003        65.931334488220827        1.0168593259636738        1.0168325982224207        2.6727741253118609E-005
 gaminv  0.71418999995250254        900.00000000000000        67.039405094055212        67.039405094055212        65.941000000000003        65.931361449911520        1.0168060179522529        1.0168325982224207       -2.6580270167775311E-005
 gaminv  0.71619000004749744        900.00000000000000        67.042892347577748        67.042892347577748        65.941000000000003        65.931334488220827        1.0168593259636738        1.0168325982224207        2.6727741253118609E-005
 gaminv  0.71518723360357261        900.00000000000000        67.041143539897163        67.041143539897163        65.941000000000003        65.931348006337771        1.0168325927971731        1.0168325982224207       -5.4252475845117942E-009
 gaminv  0.71518743714724387        900.00000000000000        67.041143894800911        67.041143894800911        65.941000000000003        65.931348003593840        1.0168325982224204        1.0168325982224207       -2.2204460492503131E-016
 gaminv  0.71518748005898858        900.00000000000000        67.041143969622894        67.041143969622894        65.941000000000003        65.931348003015344        1.0168325993661891        1.0168325982224207        1.1437684133142056E-009
 Changed gamma  0.71518743714724387       0.71518999999999999     
 Changed q intraphase   3.4384719793842464     
 before goinv   52.000000000000000        9.9999997764825821E-003   51.000000022351742        52.999999977648258     
 Changed Go   52.000000000000000        52.000000000000000     
 Changed Gop intraphase   1.5459579447708918     
 Changed eta systematics   1.0830935069360690        1.0830900000000001       -5.4600002169609070        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fs             1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        65.941000000000003        65.941000000000003     
 Gamma   2.5628527561272207E-006
 q   0.0000000000000000     
 eta   3.5069360688755324E-006
 Ko   1.4949081617032789E-007
 Kop   1.7930897904250287E-006
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
fs    65.94 100.55   7.88 682.68   0.72   3.44  52.00   1.55   1.08
 After Vo block
 Changed Ko adiab   100.54591310492862        100.54590985050919     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.95592316529030263     
 Changed Kop compress   7.8753366668714540        7.8753382069102091     
 gaminv  0.71418743709974641        900.00000000000000        67.039400610037589        67.039400610037589        65.941000000000003        65.931361484774399        1.0168059494042008        1.0168325982224207       -2.6648818219898729E-005
 gaminv  0.71618743719474132        900.00000000000000        67.042887859905790        67.042887859905790        65.941000000000003        65.931334523084374        1.0168592573601287        1.0168325982224207        2.6659137708051617E-005
 gaminv  0.71418743709974641        900.00000000000000        67.039400610037589        67.039400610037589        65.941000000000003        65.931361484774385        1.0168059494042010        1.0168325982224207       -2.6648818219676684E-005
 gaminv  0.71618743719474132        900.00000000000000        67.042887859905790        67.042887859905790        65.941000000000003        65.931334523084374        1.0168592573601287        1.0168325982224207        2.6659137708051617E-005
 gaminv  0.71518724356471597        900.00000000000000        67.041143540077584        67.041143540077584        65.941000000000003        65.931348006517283        1.0168325927971411        1.0168325982224207       -5.4252795589349034E-009
 gaminv  0.71518744710958559        900.00000000000000        67.041143894983435        67.041143894983435        65.941000000000003        65.931348003773309        1.0168325982224209        1.0168325982224207        2.2204460492503131E-016
 gaminv  0.71518740419784033        900.00000000000000        67.041143820161437        67.041143820161437        65.941000000000003        65.931348004351804        1.0168325970786518        1.0168325982224207       -1.1437688574034155E-009
 Changed gamma  0.71518744710958559       0.71518743714724387     
 Changed q intraphase   3.4384719793842464     
 before goinv   52.000000000000000        9.9999997764825821E-003   51.000000022351742        52.999999977648258     
 Changed Go   52.000000000000000        52.000000000000000     
 Changed Gop intraphase   1.5459579447708918     
 Changed eta systematics   1.0830934994644357        1.0830935069360690       -5.4600002169609070        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fs             2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        65.941000000000003        65.941000000000003     
 Gamma   9.9623417293415173E-009
 q   0.0000000000000000     
 eta   7.4716333120505851E-009
 Ko   3.2544194255024195E-006
 Kop   1.5400387551878225E-006
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
fs    65.94 100.55   7.88 682.68   0.72   3.44  52.00   1.55   1.08
 After Vo block
 Changed Ko adiab   100.54591309227803        100.54591310492862     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.95592316529030263     
 Changed Kop compress   7.8753366728577863        7.8753366668714540     
 gaminv  0.71418744706208814        900.00000000000000        67.039400627620097        67.039400627620097        65.941000000000003        65.931361484638899        1.0168059496729696        1.0168325982224207       -2.6648549451113723E-005
 gaminv  0.71618744715708305        900.00000000000000        67.042887877503532        67.042887877503532        65.941000000000003        65.931334522948845        1.0168592576291291        1.0168325982224207        2.6659406708429145E-005
 gaminv  0.71418744706208814        900.00000000000000        67.039400627620097        67.039400627620097        65.941000000000003        65.931361484638884        1.0168059496729698        1.0168325982224207       -2.6648549450891679E-005
 gaminv  0.71618744715708305        900.00000000000000        67.042887877503532        67.042887877503532        65.941000000000003        65.931334522948845        1.0168592576291291        1.0168325982224207        2.6659406708429145E-005
 gaminv  0.71518724343908624        900.00000000000000        67.041143540078068        67.041143540078068        65.941000000000003        65.931348006517752        1.0168325927971411        1.0168325982224207       -5.4252795589349034E-009
 gaminv  0.71518744698395575        900.00000000000000        67.041143894983918        67.041143894983918        65.941000000000003        65.931348003773792        1.0168325982224207        1.0168325982224207        0.0000000000000000     
 Changed gamma  0.71518744698395575       0.71518744710958559     
 Changed q intraphase   3.4384719793842464     
 before goinv   52.000000000000000        9.9999997764825821E-003   51.000000022351742        52.999999977648258     
 Changed Go   52.000000000000000        52.000000000000000     
 Changed Gop intraphase   1.5459579447708918     
 Changed eta systematics   1.0830934996483979        1.0830934994644357       -5.4600002169609070        300.00000000000000        1000.0000000000000        0.0000000000000000     
mgts  59.14 107.08   7.03 783.94   0.78   3.44  93.47   1.55   2.39
 After Vo block
 Changed Ko intraphase   107.07680961158030        107.07680999999999     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   7.0275144934567004        7.0275100000000004               13          11           6
 Changed gamma intraphase  0.78477405837669056     
 Changed q intraphase   3.4384719793842464     
 Changed G systematics   93.471456507607556     
 Changed Gop intraphase   1.5459579447708918     
 Changed eta systematics   2.3941625285161958        2.3941599999999998       -9.8145033232921008        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: mgts           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        59.140000000000001        59.140000000000001     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.5285161959764935E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.4923924374652415E-006
 Gop   0.0000000000000000     
mgts  59.14 107.08   7.03 783.94   0.78   3.44  93.47   1.55   2.39
 After Vo block
 Changed Ko intraphase   107.07680961158030        107.07680961158030     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   7.0275144934567004        7.0275144934567004               13          11           6
 Changed gamma intraphase  0.78477405837669056     
 Changed q intraphase   3.4384719793842464     
 Changed G systematics   93.471456507607584     
 Changed Gop intraphase   1.5459579447708918     
 Changed eta systematics   2.3941625285161958        2.3941625285161958       -9.8145033232921044        300.00000000000000        1000.0000000000000        0.0000000000000000     
odi   68.05 107.08   7.03 744.55   0.78   3.44  57.51   1.55   1.32
 After Vo block
 Changed Ko intraphase   107.07680961158030        107.07680999999999     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   7.0275144934567004        7.0275100000000004               14          11           6
 Changed gamma intraphase  0.78477405837669056     
 Changed q intraphase   3.4384719793842464     
 Changed G systematics   57.508746691749124     
 Changed Gop intraphase   1.5459579447708918     
 Changed eta systematics   1.3190867361766099        1.3190900000000001       -6.0384186425788480        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: odi            1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        68.054000000000002        68.054000000000002     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   3.2638233902204661E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.3082508750226225E-006
 Gop   0.0000000000000000     
odi   68.05 107.08   7.03 744.55   0.78   3.44  57.51   1.55   1.32
 After Vo block
 Changed Ko intraphase   107.07680961158030        107.07680961158030     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   7.0275144934567004        7.0275144934567004               14          11           6
 Changed gamma intraphase  0.78477405837669056     
 Changed q intraphase   3.4384719793842464     
 Changed G systematics   57.508746691749124     
 Changed Gop intraphase   1.5459579447708918     
 Changed eta systematics   1.3190867361766099        1.3190867361766099       -6.0384186425788480        300.00000000000000        1000.0000000000000        0.0000000000000000     
di    66.04 113.76   4.81 782.57   1.01   0.60  72.70   1.71   1.06
 After Vo block
 Changed Ko adiab   113.75989737234167        113.75990000000000     
 Changed Kop adiabatic   4.8060986233354184        4.8060999999999998     
 Changed theta cal   782.57318761656563        782.57306000000005       -0.0000000000000000        403.01453573636354        403.01449506037989        4.0675983655091841E-005   0.0000000000000000        1000.0000000000000      di                                                                              
 gaminv   1.0082099999525025        1273.0000000000000        68.213244592940001        68.213244592940001        66.039000000000001        66.034187934823464        1.0329989165652691        1.0330347195714178       -3.5803006148693584E-005
 gaminv   1.0102100000474974        1273.0000000000000        68.217981224710556        68.217981224710556        66.039000000000001        66.034178391651082        1.0330707958552503        1.0330347195714178        3.6076283832509048E-005
 gaminv   1.0082099999525025        1273.0000000000000        68.213244592940001        68.213244592940001        66.039000000000001        66.034187934823450        1.0329989165652693        1.0330347195714178       -3.5803006148471539E-005
 gaminv   1.0102100000474974        1273.0000000000000        68.217981224710556        68.217981224710556        66.039000000000001        66.034178391651082        1.0330707958552503        1.0330347195714178        3.6076283832509048E-005
 gaminv   1.0092061981024423        1273.0000000000000        68.215603662780595        68.215603662780595        66.039000000000001        66.034183181376861        1.0330347159048217        1.0330347195714178       -3.6665961378190559E-009
 gaminv   1.0092063001234610        1273.0000000000000        68.215603904398392        68.215603904398392        66.039000000000001        66.034183180890054        1.0330347195714178        1.0330347195714178        0.0000000000000000     
 Changed gamma   1.0092063001234610        1.0092099999999999     
 qinv final  0.50141999525025482        0.0000000000000000        1300.0000000000000        102.71185716712485        114.59999375887743        3.1716516569070090        3.2791289995305801        5690.7243511784136        5911.7089721753509       -11.888136591752584       -12.300000000000001       0.41186340824741663     
 qinv final  0.70142000474974509        0.0000000000000000        1300.0000000000000        101.88747154146716        114.59999375887743        3.1708465768828171        3.2791289995305801        5668.5603924281704        5911.7089721753509       -12.712522217410267       -12.300000000000001      -0.41252221741026673     
  0.50141999525025482       0.70142000474974509     
 qinv final  0.50141999525025482        0.0000000000000000        1300.0000000000000        102.71185716712485        114.59999375887743        3.1716516569070090        3.2791289995305801        5690.7243511784136        5911.7089721753509       -11.888136591752584       -12.300000000000001       0.41186340824741663     
 qinv final  0.70142000474974509        0.0000000000000000        1300.0000000000000        101.88747154146716        114.59999375887743        3.1708465768828171        3.2791289995305801        5668.5603924281704        5911.7089721753509       -12.712522217410267       -12.300000000000001      -0.41252221741026673     
 qinv final  0.60134008482758095        0.0000000000000000        1300.0000000000000        102.30031578709119        114.59999375887743        3.1712511852231358        3.2791289995305801        5679.6708214134533        5911.7089721753509       -12.299677971786238       -12.300000000000001        3.2202821376259294E-004
 qinv final  0.60141821060214617        0.0000000000000000        1300.0000000000000        102.29999375990533        114.59999375887743        3.1712508707436067        3.2791289995305801        5679.6621636129739        5911.7089721753509       -12.299999998972098       -12.300000000000001        1.0279030959736701E-009
 qinv final  0.60141824668773758        0.0000000000000000        1300.0000000000000        102.29999361116391        114.59999375887735        3.1712508705983513        3.2791289995305797        5679.6621596140112        5911.7089721753491       -12.300000147713433       -12.300000000000001       -1.4771343259667447E-007
 Changed q  0.60141821060214617       0.60141999999999995     
 before goinv   72.700000000000003        9.9999997764825821E-003   71.700000022351745        73.699999977648261     
 Changed Go   72.700000000000003        72.700000000000003     
 Changed Gop   1.7138444796404726        1.7138400000000000     
 Changed eta   1.0617480331033382        1.0617500000000000       -9.9799999999999986        1300.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: di             1
 Theta   1.2761656557813694E-004
 Vo   0.0000000000000000        66.039000000000001        66.039000000000001     
 Gamma   3.6998765389206767E-006
 q   1.7893978537797395E-006
 eta   1.9668966617647499E-006
 Ko   2.6276583326989567E-006
 Kop   1.3766645814428102E-006
 Go   0.0000000000000000     
 Gop   4.4796404725655492E-006
di    66.04 113.76   4.81 782.57   1.01   0.60  72.70   1.71   1.06
 After Vo block
 Changed Ko adiab   113.75990361345964        113.75989737234167     
 Changed Kop adiabatic   4.8060985437993278        4.8060986233354184     
 Changed theta cal   782.57305789441295        782.57318761656563       -0.0000000000000000        403.01445371326992        403.01449506037989       -4.1347109970502061E-005   0.0000000000000000        1000.0000000000000      di                                                                              
 gaminv   1.0082063000759636        1273.0000000000000        68.213235607041270        68.213235607041270        66.039000000000001        66.034187952263281        1.0329987802129594        1.0330347195714178       -3.5939358458358939E-005
 gaminv   1.0102063001709585        1273.0000000000000        68.217972234318538        68.217972234318538        66.039000000000001        66.034178409090472        1.0330706594348638        1.0330347195714178        3.5939863445966225E-005
 gaminv   1.0082063000759636        1273.0000000000000        68.213235607041270        68.213235607041270        66.039000000000001        66.034187952263295        1.0329987802129592        1.0330347195714178       -3.5939358458580983E-005
 gaminv   1.0102063001709585        1273.0000000000000        68.217972234318538        68.217972234318538        66.039000000000001        66.034178409090472        1.0330706594348638        1.0330347195714178        3.5939863445966225E-005
 gaminv   1.0092062930979619        1273.0000000000000        68.215603662087588        68.215603662087588        66.039000000000001        66.034183180708922        1.0330347159047761        1.0330347195714178       -3.6666416569630655E-009
 gaminv   1.0092063951202648        1273.0000000000000        68.215603903708399        68.215603903708399        66.039000000000001        66.034183180222129        1.0330347195714178        1.0330347195714178        0.0000000000000000     
 Changed gamma   1.0092063951202648        1.0092063001234610     
 qinv final  0.50141820585240104        0.0000000000000000        1300.0000000000000        102.71187025760776        114.60000024080306        3.1716516572291638        3.2791289995305801        5690.7247135268290        5911.7091393623468       -11.888129983195299       -12.300000000000001       0.41187001680470203     
 qinv final  0.70141821535189131        0.0000000000000000        1300.0000000000000        101.88748454502915        114.60000024080306        3.1708465772152250        3.2791289995305801        5668.5607538608683        5911.7091393623468       -12.712515695773902       -12.300000000000001      -0.41251569577390157     
  0.50141820585240104       0.70141821535189131     
 qinv final  0.50141820585240104        0.0000000000000000        1300.0000000000000        102.71187025760776        114.60000024080306        3.1716516572291638        3.2791289995305801        5690.7247135268290        5911.7091393623468       -11.888129983195299       -12.300000000000001       0.41187001680470203     
 qinv final  0.70141821535189131        0.0000000000000000        1300.0000000000000        101.88748454502915        114.60000024080306        3.1708465772152250        3.2791289995305801        5668.5607538608683        5911.7091393623468       -12.712515695773902       -12.300000000000001      -0.41251569577390157     
 qinv final  0.60133988816278117        0.0000000000000000        1300.0000000000000        102.30032226906138        114.60000024080306        3.1712511791391558        3.2791289995305801        5679.6710067997565        5911.7091393623468       -12.299677971741673       -12.300000000000001        3.2202825832783333E-004
 qinv final  0.60141801393797656        0.0000000000000000        1300.0000000000000        102.30000024183103        114.60000024080306        3.1712508646595849        3.2791289995305801        5679.6623489983631        5911.7091393623468       -12.299999998972027       -12.300000000000001        1.0279741502472461E-009
 qinv final  0.60141805002355608        0.0000000000000000        1300.0000000000000        102.30000009308955        114.60000024080306        3.1712508645143291        3.2791289995305801        5679.6623449993995        5911.7091393623468       -12.300000147713504       -12.300000000000001       -1.4771350365094804E-007
 Changed q  0.60141801393797656       0.60141821060214617     
 before goinv   72.700000000000003        9.9999997764825821E-003   71.700000022351745        73.699999977648261     
 Changed Go   72.700000000000003        72.700000000000003     
 Changed Gop   1.7138444596400668        1.7138444796404726     
 Changed eta   1.0617478150504425        1.0617480331033382       -9.9799999999999986        1300.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: di             2
 Theta   1.2972215267836873E-004
 Vo   0.0000000000000000        66.039000000000001        66.039000000000001     
 Gamma   9.4996803756686177E-008
 q   1.9666416961605648E-007
 eta   2.1805289573961772E-007
 Ko   6.2411179726495902E-006
 Kop   7.9536090602516651E-008
 Go   0.0000000000000000     
 Gop   2.0000405775988384E-008
di    66.04 113.76   4.81 782.57   1.01   0.60  72.70   1.71   1.06
 After Vo block
 Changed Ko adiab   113.75990337265199        113.75990361345964     
 Changed Kop adiabatic   4.8060985428251595        4.8060985437993278     
 Changed theta cal   782.57305798049595        782.57305789441295       -0.0000000000000000        403.01449508781764        403.01449506037989        2.7437749849923421E-008   0.0000000000000000        1000.0000000000000      di                                                                              
 gaminv   1.0082063950727673        1273.0000000000000        68.213235821034758        68.213235821034758        66.039000000000001        66.034187951800092        1.0329987834608523        1.0330347195714178       -3.5936110565515378E-005
 gaminv   1.0102063951677622        1273.0000000000000        68.217972448338742        68.217972448338742        66.039000000000001        66.034178408627227        1.0330706626831629        1.0330347195714178        3.5943111745151413E-005
 gaminv   1.0082063950727673        1273.0000000000000        68.213235821034758        68.213235821034758        66.039000000000001        66.034187951800078        1.0329987834608525        1.0330347195714178       -3.5936110565293333E-005
 gaminv   1.0102063951677622        1273.0000000000000        68.217972448338742        68.217972448338742        66.039000000000001        66.034178408627227        1.0330706626831629        1.0330347195714178        3.5943111745151413E-005
 gaminv   1.0092062977182623        1273.0000000000000        68.215603662054576        68.215603662054576        66.039000000000001        66.034183180676933        1.0330347159047766        1.0330347195714178       -3.6666412128738557E-009
 gaminv   1.0092063997405543        1273.0000000000000        68.215603903675344        68.215603903675344        66.039000000000001        66.034183180190112        1.0330347195714180        1.0330347195714178        2.2204460492503131E-016
 Changed gamma   1.0092063997405543        1.0092063951202648     
 qinv final  0.50141800918823143        0.0000000000000000        1300.0000000000000        102.71187079850574        114.60000000763276        3.1716516572555622        3.2791289995305801        5690.7247284873038        5911.7091333482322       -11.888129209127015       -12.300000000000001       0.41187079087298528     
 qinv final  0.70141801868772169        0.0000000000000000        1300.0000000000000        101.88748508335435        114.60000000763276        3.1708465772428092        3.2791289995305801        5668.5607688112068        5911.7091333482322       -12.712514924278409       -12.300000000000001      -0.41251492427840830     
  0.50141800918823143       0.70141801868772169     
 qinv final  0.50141800918823143        0.0000000000000000        1300.0000000000000        102.71187079850574        114.60000000763276        3.1716516572555622        3.2791289995305801        5690.7247284873038        5911.7091333482322       -11.888129209127015       -12.300000000000001       0.41187079087298528     
 qinv final  0.70141801868772169        0.0000000000000000        1300.0000000000000        101.88748508335435        114.60000000763276        3.1708465772428092        3.2791289995305801        5668.5607688112068        5911.7091333482322       -12.712514924278409       -12.300000000000001      -0.41251492427840830     
 qinv final  0.60133987897952457        0.0000000000000000        1300.0000000000000        102.30032203589299        114.60000000763276        3.1712511784114761        3.2791289995305801        5679.6710009786830        5911.7091333482322       -12.299677971739769       -12.300000000000001        3.2202826023208786E-004
 qinv final  0.60141800475470919        0.0000000000000000        1300.0000000000000        102.30000000866069        114.60000000763264        3.1712508639319004        3.2791289995305797        5679.6623431772296        5911.7091333482294       -12.299999998971956       -12.300000000000001        1.0280452045208222E-009
 qinv final  0.60141804084028816        0.0000000000000000        1300.0000000000000        102.29999985991935        114.60000000763276        3.1712508637866463        3.2791289995305801        5679.6623391782668        5911.7091333482322       -12.300000147713405       -12.300000000000001       -1.4771340417496504E-007
 Changed q  0.60141800475470919       0.60141801393797656     
 before goinv   72.700000000000003        9.9999997764825821E-003   71.700000022351745        73.699999977648261     
 Changed Go   72.700000000000003        72.700000000000003     
 Changed Gop   1.7138444603383876        1.7138444596400668     
 Changed eta   1.0617478051981670        1.0617478150504425       -9.9799999999999986        1300.0000000000000        0.0000000000000000     
he    67.87 119.20   4.82 702.08   0.97   0.60  61.00   1.71   1.02
 After Vo block
 Changed Ko adiab   119.20472368800196        119.20471999999999     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.83585080216913554     
 Changed Kop compress   4.8192674000343629        4.8192700000000004     
 Changed theta cal   702.08223452352104        702.08234000000004       -0.0000000000000000        442.00542155057940        442.00545902401814       -3.7473438737833931E-005   0.0000000000000000        1000.0000000000000      he                                                                              
 gaminv  0.96564999995250256        1273.0000000000000        69.862822200438117        69.862822200438117        67.867000000000004        67.862333374533975        1.0294786330859476        1.0295118933821636       -3.3260296216086616E-005
 gaminv  0.96765000004749746        1273.0000000000000        69.867309646162468        69.867309646162468        67.867000000000004        67.862323711590179        1.0295449054042614        1.0295118933821636        3.3012022097711480E-005
 gaminv  0.96564999995250256        1273.0000000000000        69.862822200438117        69.862822200438117        67.867000000000004        67.862333374533989        1.0294786330859473        1.0295118933821636       -3.3260296216308660E-005
 gaminv  0.96765000004749746        1273.0000000000000        69.867309646162468        69.867309646162468        67.867000000000004        67.862323711590179        1.0295449054042614        1.0295118933821636        3.3012022097711480E-005
 gaminv  0.96665374627199874        1273.0000000000000        69.865074121081449        69.865074121081449        67.867000000000004        67.862328524960702        1.0295118903175289        1.0295118933821636       -3.0646347681795305E-009
 gaminv  0.96665383874953736        1273.0000000000000        69.865074328575545        69.865074328575545        67.867000000000004        67.862328524513913        1.0295118933818810        1.0295118933821636       -2.8266278206956486E-013
 gaminv  0.96665389674926561        1273.0000000000000        69.865074458710950        69.865074458710950        67.867000000000004        67.862328524233703        1.0295118953037703        1.0295118933821636        1.9216066515781449E-009
 Changed gamma  0.96665383874953736       0.96665000000000001     
 Changed q intraphase  0.60141800475470919     
 before goinv   61.000000000000000        9.9999997764825821E-003   60.000000022351742        61.999999977648258     
 Changed Go   61.000000000000000        61.000000000000000     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.0174512185370905        1.0174500000000000       -6.4050002545118332        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: he             1
 Theta   1.0547647900693846E-004
 Vo   0.0000000000000000        67.867000000000004        67.867000000000004     
 Gamma   3.8387495373548575E-006
 q   0.0000000000000000     
 eta   1.2185370905637427E-006
 Ko   3.6880019678164899E-006
 Kop   2.5999656374509073E-006
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
he    67.87 119.20   4.82 702.08   0.97   0.60  61.00   1.71   1.02
 After Vo block
 Changed Ko adiab   119.20471731306343        119.20472368800196     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.83585080216913554     
 Changed Kop compress   4.8192680054182162        4.8192674000343629     
 Changed theta cal   702.08234203964741        702.08223452352104       -0.0000000000000000        442.00549722209797        442.00545902401814        3.8198079835183307E-005   0.0000000000000000        1000.0000000000000      he                                                                              
 gaminv  0.96565383870203991        1273.0000000000000        69.862830779673473        69.862830779673473        67.867000000000004        67.862333356090645        1.0294787597869015        1.0295118933821636       -3.3133595262135884E-005
 gaminv  0.96765383879703482        1273.0000000000000        69.867318228237323        69.867318228237323        67.867000000000004        67.862323693147090        1.0295450321470896        1.0295118933821636        3.3138764925944031E-005
 gaminv  0.96565383870203991        1273.0000000000000        69.862830779673473        69.862830779673473        67.867000000000004        67.862333356090645        1.0294787597869015        1.0295118933821636       -3.3133595262135884E-005
 gaminv  0.96765383879703482        1273.0000000000000        69.867318228237323        69.867318228237323        67.867000000000004        67.862323693147090        1.0295450321470896        1.0295118933821636        3.3138764925944031E-005
 gaminv  0.96665376074320053        1273.0000000000000        69.865074121113267        69.865074121113267        67.867000000000004        67.862328524994396        1.0295118903174865        1.0295118933821636       -3.0646771786990712E-009
 gaminv  0.96665385323054775        1273.0000000000000        69.865074328629362        69.865074328629362        67.867000000000004        67.862328524547536        1.0295118933821639        1.0295118933821636        2.2204460492503131E-016
 Changed gamma  0.96665385323054775       0.96665383874953736     
 Changed q intraphase  0.60141800475470919     
 before goinv   61.000000000000000        9.9999997764825821E-003   60.000000022351742        61.999999977648258     
 Changed Go   61.000000000000000        61.000000000000000     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.0174512445088579        1.0174512185370905       -6.4050002545118332        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: he             2
 Theta   1.0751612637704966E-004
 Vo   0.0000000000000000        67.867000000000004        67.867000000000004     
 Gamma   1.4481010390809956E-008
 q   0.0000000000000000     
 eta   2.5971767403376589E-008
 Ko   6.3749385361688837E-006
 Kop   6.0538385326935895E-007
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
he    67.87 119.20   4.82 702.08   0.97   0.60  61.00   1.71   1.02
 After Vo block
 Changed Ko adiab   119.20471734890933        119.20471731306343     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.83585080216913554     
 Changed Kop compress   4.8192680020141863        4.8192680054182162     
 Changed theta cal   702.08234464095096        702.08234203964741       -0.0000000000000000        442.00545994820317        442.00545902401814        9.2418503072622116E-007   0.0000000000000000        1000.0000000000000      he                                                                              
 gaminv  0.96565385318305030        1273.0000000000000        69.862830810511809        69.862830810511809        67.867000000000004        67.862333356030661        1.0294787602422364        1.0295118933821636       -3.3133139927254973E-005
 gaminv  0.96765385327804521        1273.0000000000000        69.867318259083632        69.867318259083632        67.867000000000004        67.862323693087106        1.0295450326025422        1.0295118933821636        3.3139220378508583E-005
 gaminv  0.96565385318305030        1273.0000000000000        69.862830810511809        69.862830810511809        67.867000000000004        67.862333356030646        1.0294787602422366        1.0295118933821636       -3.3133139927032929E-005
 gaminv  0.96765385327804521        1273.0000000000000        69.867318259083632        69.867318259083632        67.867000000000004        67.862323693087106        1.0295450326025422        1.0295118933821636        3.3139220378508583E-005
 gaminv  0.96665376148111049        1273.0000000000000        69.865074121119861        69.865074121119861        67.867000000000004        67.862328525000805        1.0295118903174865        1.0295118933821636       -3.0646771786990712E-009
 gaminv  0.96665385396845782        1273.0000000000000        69.865074328635941        69.865074328635941        67.867000000000004        67.862328524553945        1.0295118933821636        1.0295118933821636        0.0000000000000000     
 Changed gamma  0.96665385396845782       0.96665385323054775     
 Changed q intraphase  0.60141800475470919     
 before goinv   61.000000000000000        9.9999997764825821E-003   60.000000022351742        61.999999977648258     
 Changed Go   61.000000000000000        61.000000000000000     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.0174512446418045        1.0174512445088579       -6.4050002545118332        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: he             3
 Theta   2.6013035494543146E-006
 Vo   0.0000000000000000        67.867000000000004        67.867000000000004     
 Gamma   7.3791006638401768E-010
 q   0.0000000000000000     
 eta   1.3294654266360340E-010
 Ko   3.5845900470121705E-008
 Kop   3.4040299468074409E-009
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
he    67.87 119.20   4.82 702.08   0.97   0.60  61.00   1.71   1.02
 After Vo block
 Changed Ko adiab   119.20471734913892        119.20471734890933     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.83585080216913554     
 Changed Kop compress   4.8192680019923744        4.8192680020141863     
 Changed theta cal   702.08234471504591        702.08234464095096       -0.0000000000000000        442.00545905034244        442.00545902401814        2.6324300961277913E-008   0.0000000000000000        1000.0000000000000      he                                                                              
 gaminv  0.96565385392096037        1273.0000000000000        69.862830812136949        69.862830812136949        67.867000000000004        67.862333356027349        1.0294787602662343        1.0295118933821636       -3.3133115929340207E-005
 gaminv  0.96765385401595527        1273.0000000000000        69.867318260709311        69.867318260709311        67.867000000000004        67.862323693083795        1.0295450326265478        1.0295118933821636        3.3139244384194910E-005
 gaminv  0.96565385392096037        1273.0000000000000        69.862830812136949        69.862830812136949        67.867000000000004        67.862333356027335        1.0294787602662345        1.0295118933821636       -3.3133115929118162E-005
 gaminv  0.96765385401595527        1273.0000000000000        69.867318260709311        69.867318260709311        67.867000000000004        67.862323693083795        1.0295450326265478        1.0295118933821636        3.3139244384194910E-005
 gaminv  0.96665376149468230        1273.0000000000000        69.865074121120045        69.865074121120045        67.867000000000004        67.862328525001004        1.0295118903174862        1.0295118933821636       -3.0646774007436761E-009
 gaminv  0.96665385398203629        1273.0000000000000        69.865074328636155        69.865074328636155        67.867000000000004        67.862328524554130        1.0295118933821639        1.0295118933821636        2.2204460492503131E-016
 Changed gamma  0.96665385398203629       0.96665385396845782     
 Changed q intraphase  0.60141800475470919     
 before goinv   61.000000000000000        9.9999997764825821E-003   60.000000022351742        61.999999977648258     
 Changed Go   61.000000000000000        61.000000000000000     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.0174512446584902        1.0174512446418045       -6.4050002545118332        300.00000000000000        1000.0000000000000        0.0000000000000000     
cen   62.50 113.76   4.81 806.64   1.01   0.60  76.97   1.71   1.43
 After Vo block
 Changed Ko intraphase   113.75990337265199        113.75990000000000     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.8060985428251595        4.8060999999999998               17          15           7
 Changed gamma intraphase   1.0092063997405543     
 Changed q intraphase  0.60141800475470919     
 Changed G systematics   76.970362434022746     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.4312135708717926        1.4312100000000001       -8.0818883767177656        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: cen            1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        62.500000000000000        62.500000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   3.5708717924798350E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   2.4340227469110687E-006
 Gop   0.0000000000000000     
cen   62.50 113.76   4.81 806.64   1.01   0.60  76.97   1.71   1.43
 After Vo block
 Changed Ko intraphase   113.75990337265199        113.75990337265199     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.8060985428251595        4.8060985428251595               17          15           7
 Changed gamma intraphase   1.0092063997405543     
 Changed q intraphase  0.60141800475470919     
 Changed G systematics   76.970362434022746     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.4312135708717926        1.4312135708717926       -8.0818883767177656        300.00000000000000        1000.0000000000000        0.0000000000000000     
cats  63.57 113.76   4.81 804.36   0.82   0.60  74.42   1.71   1.73
 After Vo block
 Changed Ko intraphase   113.75990337265199        113.75990000000000     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.8060985428251595        4.8060999999999998               18          15           7
 Changed theta cal   804.36080204999575        804.36068000000000        11.526305924449696        380.16172199347358        380.16168414548156        3.7847992018669174E-005   0.0000000000000000        900.00000000000000      cats                                                                            
 gaminv  0.82187999995250249        1473.0000000000000        65.728204161749133        65.728204161749133        63.573999999999998        63.573999999999998        1.0338849869718616        1.0339300852626077       -4.5098290746059533E-005
 gaminv  0.82388000004749740        1473.0000000000000        65.733967402606652        65.733967402606652        63.573999999999998        63.574000000000005        1.0339756410263101        1.0339300852626077        4.5555763702465057E-005
 gaminv  0.82187999995250249        1473.0000000000000        65.728204161749133        65.728204161749133        63.573999999999998        63.573999999999998        1.0338849869718616        1.0339300852626077       -4.5098290746059533E-005
 gaminv  0.82388000004749740        1473.0000000000000        65.733967402606652        65.733967402606652        63.573999999999998        63.574000000000005        1.0339756410263101        1.0339300852626077        4.5555763702465057E-005
 gaminv  0.82287495364017726        1473.0000000000000        65.731070870108525        65.731070870108525        63.573999999999998        63.573999999999998        1.0339300794366963        1.0339300852626077       -5.8259113089320635E-009
 gaminv  0.82287508217098104        1473.0000000000000        65.731071240485022        65.731071240485022        63.573999999999998        63.573999999999991        1.0339300852626079        1.0339300852626077        2.2204460492503131E-016
 gaminv  0.82287503279797791        1473.0000000000000        65.731071098210947        65.731071098210947        63.573999999999998        63.574000000000005        1.0339300830246789        1.0339300852626077       -2.2379287312190854E-009
 Changed gamma  0.82287508217098104       0.82287999999999994     
 Changed q intraphase  0.60141800475470919     
 Changed G systematics   74.424992006799016     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.7338281838901253        1.7338300000000000       -7.8146244712391608        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: cats           1
 Theta   1.2204999575260445E-004
 Vo   0.0000000000000000        63.573999999999998        63.573999999999998     
 Gamma   4.9178290189022533E-006
 q   0.0000000000000000     
 eta   1.8161098747082605E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   2.0067990220695719E-006
 Gop   0.0000000000000000     
cats  63.57 113.76   4.81 804.36   0.82   0.60  74.42   1.71   1.73
 After Vo block
 Changed Ko intraphase   113.75990337265199        113.75990337265199     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.8060985428251595        4.8060985428251595               18          15           7
 Changed theta cal   804.36068280526558        804.36080204999575        11.526305924449696        380.16164716740911        380.16168414548156       -3.6978072444071586E-005   0.0000000000000000        900.00000000000000      cats                                                                            
 gaminv  0.82187508212348359        1473.0000000000000        65.728189875287555        65.728189875287555        63.573999999999998        63.573999999999998        1.0338847622500953        1.0339300852626077       -4.5323012512366034E-005
 gaminv  0.82387508221847849        1473.0000000000000        65.733953108025972        65.733953108025972        63.573999999999998        63.573999999999998        1.0339754161768329        1.0339300852626077        4.5330914225205632E-005
 gaminv  0.82187508212348359        1473.0000000000000        65.728189875287555        65.728189875287555        63.573999999999998        63.574000000000005        1.0338847622500951        1.0339300852626077       -4.5323012512588079E-005
 gaminv  0.82387508221847849        1473.0000000000000        65.733953108025972        65.733953108025972        63.573999999999998        63.573999999999998        1.0339754161768329        1.0339300852626077        4.5330914225205632E-005
 gaminv  0.82287499500748706        1473.0000000000000        65.731070870100226        65.731070870100226        63.573999999999998        63.574000000000005        1.0339300794365656        1.0339300852626077       -5.8260420932043644E-009
 gaminv  0.82287512354119341        1473.0000000000000        65.731071240485036        65.731071240485036        63.573999999999998        63.573999999999991        1.0339300852626081        1.0339300852626077        4.4408920985006262E-016
 gaminv  0.82287507416818773        1473.0000000000000        65.731071098210975        65.731071098210975        63.573999999999998        63.574000000000005        1.0339300830246794        1.0339300852626077       -2.2379282871298756E-009
 Changed gamma  0.82287512354119341       0.82287508217098104     
 Changed q intraphase  0.60141800475470919     
 Changed G systematics   74.424992006799044     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.7338280183485992        1.7338281838901253       -7.8146244712391644        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: cats           2
 Theta   1.1924473017188575E-004
 Vo   0.0000000000000000        63.573999999999998        63.573999999999998     
 Gamma   4.1370212366942383E-008
 q   0.0000000000000000     
 eta   1.6554152604264516E-007
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   2.8421709430404007E-014
 Gop   0.0000000000000000     
cats  63.57 113.76   4.81 804.36   0.82   0.60  74.42   1.71   1.73
 After Vo block
 Changed Ko intraphase   113.75990337265199        113.75990337265199     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.8060985428251595        4.8060985428251595               18          15           7
 Changed theta cal   804.36067964965719        804.36068280526558        11.526305924449696        380.16168316691989        380.16168414548156       -9.7856167258214555E-007   0.0000000000000000        900.00000000000000      cats                                                                            
 gaminv  0.82187512349369596        1473.0000000000000        65.728189995606456        65.728189995606456        63.573999999999998        63.574000000000005        1.0338847641426754        1.0339300852626077       -4.5321119932273390E-005
 gaminv  0.82387512358869086        1473.0000000000000        65.733953228409220        65.733953228409220        63.573999999999998        63.573999999999998        1.0339754180704253        1.0339300852626077        4.5332807817599630E-005
 gaminv  0.82187512349369596        1473.0000000000000        65.728189995606456        65.728189995606456        63.573999999999998        63.573999999999998        1.0338847641426756        1.0339300852626077       -4.5321119932051346E-005
 gaminv  0.82387512358869086        1473.0000000000000        65.733953228409220        65.733953228409220        63.573999999999998        63.573999999999998        1.0339754180704253        1.0339300852626077        4.5332807817599630E-005
 gaminv  0.82287499461257008        1473.0000000000000        65.731070870100197        65.731070870100197        63.573999999999998        63.573999999999998        1.0339300794365653        1.0339300852626077       -5.8260423152489693E-009
 gaminv  0.82287512314628120        1473.0000000000000        65.731071240485022        65.731071240485022        63.573999999999998        63.573999999999991        1.0339300852626079        1.0339300852626077        2.2204460492503131E-016
 gaminv  0.82287507377327562        1473.0000000000000        65.731071098210975        65.731071098210975        63.573999999999998        63.574000000000005        1.0339300830246794        1.0339300852626077       -2.2379282871298756E-009
 Changed gamma  0.82287512314628120       0.82287512354119341     
 Changed q intraphase  0.60141800475470919     
 Changed G systematics   74.424992006799044     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.7338280167579834        1.7338280183485992       -7.8146244712391644        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: cats           3
 Theta   3.1556083968098392E-006
 Vo   0.0000000000000000        63.573999999999998        63.573999999999998     
 Gamma   3.9491221404119869E-010
 q   0.0000000000000000     
 eta   1.5906158612466470E-009
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
cats  63.57 113.76   4.81 804.36   0.82   0.60  74.42   1.71   1.73
 After Vo block
 Changed Ko intraphase   113.75990337265199        113.75990337265199     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.8060985428251595        4.8060985428251595               18          15           7
 Changed theta cal   804.36067952887799        804.36067964965719        11.526305924449696        380.16168410802766        380.16168414548156       -3.7453901313710958E-008   0.0000000000000000        900.00000000000000      cats                                                                            
 gaminv  0.82187512309878374        1473.0000000000000        65.728189994512249        65.728189994512249        63.573999999999998        63.574000000000005        1.0338847641254638        1.0339300852626077       -4.5321137143838897E-005
 gaminv  0.82387512319377865        1473.0000000000000        65.733953227314544        65.733953227314544        63.573999999999998        63.573999999999998        1.0339754180532064        1.0339300852626077        4.5332790598706652E-005
 gaminv  0.82187512309878374        1473.0000000000000        65.728189994512249        65.728189994512249        63.573999999999998        63.573999999999991        1.0338847641254643        1.0339300852626077       -4.5321137143394807E-005
 gaminv  0.82387512319377865        1473.0000000000000        65.733953227314544        65.733953227314544        63.573999999999998        63.573999999999998        1.0339754180532064        1.0339300852626077        4.5332790598706652E-005
 gaminv  0.82287499459745650        1473.0000000000000        65.731070870100211        65.731070870100211        63.573999999999998        63.573999999999991        1.0339300794365656        1.0339300852626077       -5.8260420932043644E-009
 gaminv  0.82287512313116273        1473.0000000000000        65.731071240485022        65.731071240485022        63.573999999999998        63.574000000000005        1.0339300852626077        1.0339300852626077        0.0000000000000000     
 Changed gamma  0.82287512313116273       0.82287512314628120     
 Changed q intraphase  0.60141800475470919     
 Changed G systematics   74.424992006798973     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.7338280166971094        1.7338280167579834       -7.8146244712391573        300.00000000000000        1000.0000000000000        0.0000000000000000     
jd    60.51 142.29   4.81 820.78   0.90   0.79  85.00   1.71   1.88
 After Vo block
 Changed Ko adiab   142.29227020448189        142.29226000000000     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop intraphase   4.8060985428251595        4.8060999999999998               19          15           7
 Changed theta cal   820.78374867699085        820.78389000000004       -0.0000000000000000        389.73206705589746        389.73211000360925       -4.2947711790475296E-005   0.0000000000000000        1000.0000000000000      jd                                                                              
 gaminv  0.89882999995250257        1073.0000000000000        61.674173677250636        61.674173677250636        60.508000000000003        60.504670605803554        1.0193291370688811        1.0193520700358905       -2.2932967009392513E-005
 gaminv  0.90083000004749747        1073.0000000000000        61.676927698693085        61.676927698693085        60.508000000000003        60.504663199095411        1.0193747793577537        1.0193520700358905        2.2709321863212395E-005
 gaminv  0.89882999995250257        1073.0000000000000        61.674173677250636        61.674173677250636        60.508000000000003        60.504670605803554        1.0193291370688811        1.0193520700358905       -2.2932967009392513E-005
 gaminv  0.90083000004749747        1073.0000000000000        61.676927698693085        61.676927698693085        60.508000000000003        60.504663199095411        1.0193747793577537        1.0193520700358905        2.2709321863212395E-005
 gaminv  0.89983489995489552        1073.0000000000000        61.675557334701764        61.675557334701764        60.508000000000003        60.504666884302196        1.0193520683724870        1.0193520700358905       -1.6634034150087018E-009
 gaminv  0.89983497283825453        1073.0000000000000        61.675557435063006        61.675557435063006        60.508000000000003        60.504666884032297        1.0193520700357697        1.0193520700358905       -1.2079226507921703E-013
 gaminv  0.89983502682885097        1073.0000000000000        61.675557509408684        61.675557509408684        60.508000000000003        60.504666883832343        1.0193520712678978        1.0193520700358905        1.2320073849991786E-009
 Changed gamma  0.89983497283825453       0.89983000000000002     
 qinv final  0.68627999525025485        0.0000000000000000        1280.0000000000000        130.74799440793950        143.00000790099247        3.2585938228921987        3.3406937925563556        6334.3550553719033        6542.5898518042150       -15.776534972817146       -16.170000000000002       0.39346502718285592     
 qinv final  0.88628000474974511        0.0000000000000000        1280.0000000000000        130.00447569216018        143.00000790099247        3.2581519092083395        3.3406937925563556        6316.7470686450042        6542.5898518042150       -16.563911017800464       -16.170000000000002      -0.39391101780046256     
  0.68627999525025485       0.88628000474974511     
 qinv final  0.68627999525025485        0.0000000000000000        1280.0000000000000        130.74799440793950        143.00000790099247        3.2585938228921987        3.3406937925563556        6334.3550553719033        6542.5898518042150       -15.776534972817146       -16.170000000000002       0.39346502718285592     
 qinv final  0.88628000474974511        0.0000000000000000        1280.0000000000000        130.00447569216018        143.00000790099247        3.2581519092083395        3.3406937925563556        6316.7470686450042        6542.5898518042150       -16.563911017800464       -16.170000000000002      -0.39391101780046256     
 qinv final  0.78622335735235638        0.0000000000000000        1280.0000000000000        130.37658935653744        143.00000790099247        3.2583736497540503        3.3406937925563556        6325.5656201374122        6542.5898518042150       -16.169765145874180       -16.170000000000002        2.3485412582147092E-004
 qinv final  0.78628301229887543        0.0000000000000000        1280.0000000000000        130.37636758407859        143.00000790099247        3.2583735179438857        3.3406937925563556        6325.5603681390976        6542.5898518042150       -16.169999999619250       -16.170000000000002        3.8075143038440729E-010
 qinv final  0.78628305947635446        0.0000000000000000        1280.0000000000000        130.37636740869235        143.00000790099261        3.2583735178396456        3.3406937925563565        6325.5603639856108        6542.5898518042168       -16.170000185350872       -16.170000000000002       -1.8535087065174594E-007
 Changed q  0.78628301229887543       0.78627999999999998     
 before goinv   85.000000000000000        9.9999997764825821E-003   84.000000022351742        85.999999977648258     
 Changed Go   85.000000000000028        85.000000000000000     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.8816729391243705        1.8816700000000000       -8.9250003546476400        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: jd             1
 Theta   1.4132300918845431E-004
 Vo   0.0000000000000000        60.508000000000003        60.508000000000003     
 Gamma   4.9728382545133343E-006
 q   3.0122988754488489E-006
 eta   2.9391243705489956E-006
 Ko   1.0204481895925710E-005
 Kop   0.0000000000000000     
 Go   2.8421709430404007E-014
 Gop   0.0000000000000000     
jd    60.51 142.29   4.81 820.78   0.90   0.79  85.00   1.71   1.88
 After Vo block
 Changed Ko adiab   142.29226230348769        142.29227020448189     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop intraphase   4.8060985428251595        4.8060985428251595               19          15           7
 Changed theta cal   820.78388602747305        820.78374867699085       -0.0000000000000000        389.73215174408006        389.73211000360925        4.1740470805962104E-005   0.0000000000000000        1000.0000000000000      jd                                                                              
 gaminv  0.89883497279075708        1073.0000000000000        61.674180627688429        61.674180627688429        60.508000000000003        60.504670587565464        1.0193292522505415        1.0193520700358905       -2.2817785348960840E-005
 gaminv  0.90083497288575198        1073.0000000000000        61.676934651577845        61.676934651577845        60.508000000000003        60.504663180857747        1.0193748945798773        1.0193520700358905        2.2824543986832424E-005
 gaminv  0.89883497279075708        1073.0000000000000        61.674180627688429        61.674180627688429        60.508000000000003        60.504670587565457        1.0193292522505415        1.0193520700358905       -2.2817785348960840E-005
 gaminv  0.90083497288575198        1073.0000000000000        61.676934651577845        61.676934651577845        60.508000000000003        60.504663180857747        1.0193748945798773        1.0193520700358905        2.2824543986832424E-005
 gaminv  0.89983482475996202        1073.0000000000000        61.675557335164669        61.675557335164669        60.508000000000003        60.504666884758976        1.0193520683724422        1.0193520700358905       -1.6634482680188967E-009
 gaminv  0.89983489765056235        1073.0000000000000        61.675557435535886        61.675557435535886        60.508000000000003        60.504666884489033        1.0193520700358905        1.0193520700358905        0.0000000000000000     
 Changed gamma  0.89983489765056235       0.89983497283825453     
 qinv final  0.68628300754913030        0.0000000000000000        1280.0000000000000        130.74797621708569        142.99999980538445        3.2585938208414111        3.3406937925563560        6334.3546167185104        6542.5896666075687       -15.776545179561623       -16.170000000000002       0.39345482043837876     
 qinv final  0.88628301704862056        0.0000000000000000        1280.0000000000000        130.00445757349596        142.99999980538431        3.2581519071317353        3.3406937925563556        6316.7466304769250        6542.5896666075660       -16.563921152865220       -16.170000000000002      -0.39392115286521800     
  0.68628300754913030       0.88628301704862056     
 qinv final  0.68628300754913030        0.0000000000000000        1280.0000000000000        130.74797621708569        142.99999980538445        3.2585938208414111        3.3406937925563560        6334.3546167185104        6542.5896666075687       -15.776545179561623       -16.170000000000002       0.39345482043837876     
 qinv final  0.88628301704862056        0.0000000000000000        1280.0000000000000        130.00445757349596        142.99999980538431        3.2581519071317353        3.3406937925563556        6316.7466304769250        6542.5896666075660       -16.563921152865220       -16.170000000000002      -0.39392115286521800     
 qinv final  0.78622378615218058        0.0000000000000000        1280.0000000000000        130.37658080614545        142.99999980538445        3.2583736533987713        3.3406937925563560        6325.5654091771539        6542.5896666075687       -16.169765145892441       -16.170000000000002        2.3485410756052261E-004
 qinv final  0.78628344110133075        0.0000000000000000        1280.0000000000000        130.37635903370267        142.99999980538445        3.2583735215886125        3.3406937925563560        6325.5601571790448        6542.5896666075687       -16.169999999619364       -16.170000000000002        3.8063774354668567E-010
 qinv final  0.78628348827883554        0.0000000000000000        1280.0000000000000        130.37635885831622        142.99999980538445        3.2583735214843723        3.3406937925563565        6325.5601530255544        6542.5896666075687       -16.170000185351029       -16.170000000000002       -1.8535102697114780E-007
 Changed q  0.78628344110133075       0.78628301229887543     
 before goinv   85.000000000000028        9.9999997764825821E-003   84.000000022351770        85.999999977648287     
 Changed Go   85.000000000000000        85.000000000000028     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.8816731842275622        1.8816729391243705       -8.9250003546476364        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: jd             2
 Theta   1.3735048219132295E-004
 Vo   0.0000000000000000        60.508000000000003        60.508000000000003     
 Gamma   7.5187692183398269E-008
 q   4.2880245532117556E-007
 eta   2.4510319174275708E-007
 Ko   7.9009942055563442E-006
 Kop   0.0000000000000000     
 Go   2.8421709430404007E-014
 Gop   0.0000000000000000     
jd    60.51 142.29   4.81 820.78   0.90   0.79  85.00   1.71   1.88
 After Vo block
 Changed Ko adiab   142.29226249810159        142.29226230348769     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop intraphase   4.8060985428251595        4.8060985428251595               19          15           7
 Changed theta cal   820.78388800388507        820.78388602747305       -0.0000000000000000        389.73211060423591        389.73211000360925        6.0062666307203472E-007   0.0000000000000000        1000.0000000000000      jd                                                                              
 gaminv  0.89883489760306490        1073.0000000000000        61.674180532241117        61.674180532241117        60.508000000000003        60.504670587853767        1.0193292506681646        1.0193520700358905       -2.2819367725857020E-005
 gaminv  0.90083489769805980        1073.0000000000000        61.676934556146392        61.676934556146392        60.508000000000003        60.504663181146057        1.0193748929977620        1.0193520700358905        2.2822961871504788E-005
 gaminv  0.89883489760306490        1073.0000000000000        61.674180532241110        61.674180532241110        60.508000000000003        60.504670587853774        1.0193292506681644        1.0193520700358905       -2.2819367726079065E-005
 gaminv  0.90083489769805980        1073.0000000000000        61.676934556146392        61.676934556146392        60.508000000000003        60.504663181146071        1.0193748929977617        1.0193520700358905        2.2822961871282743E-005
 gaminv  0.89983481890468309        1073.0000000000000        61.675557335196821        61.675557335196821        60.508000000000003        60.504666884790517        1.0193520683724422        1.0193520700358905       -1.6634482680188967E-009
 gaminv  0.89983489179528220        1073.0000000000000        61.675557435568038        61.675557435568038        60.508000000000003        60.504666884520582        1.0193520700358902        1.0193520700358905       -2.2204460492503131E-016
 gaminv  0.89983494578587375        1073.0000000000000        61.675557509913730        61.675557509913730        60.508000000000003        60.504666884320642        1.0193520712680184        1.0193520700358905        1.2321279552196529E-009
 Changed gamma  0.89983489179528220       0.89983489765056235     
 qinv final  0.68628343635158562        0.0000000000000000        1280.0000000000000        130.74797487536193        142.99999998968926        3.2585938206087457        3.3406937925563560        6334.3545844433647        6542.5896708237606       -15.776546753197053       -16.170000000000002       0.39345324680294880     
 qinv final  0.88628344585107588        0.0000000000000000        1280.0000000000000        130.00445623549598        142.99999998968926        3.2581519068959768        3.3406937925563565        6316.7465981996284        6542.5896708237597       -16.563922723340426       -16.170000000000002      -0.39392272334042389     
  0.68628343635158562       0.88628344585107588     
 qinv final  0.68628343635158562        0.0000000000000000        1280.0000000000000        130.74797487536193        142.99999998968926        3.2585938206087457        3.3406937925563560        6334.3545844433647        6542.5896708237606       -15.776546753197053       -16.170000000000002       0.39345324680294880     
 qinv final  0.88628344585107588        0.0000000000000000        1280.0000000000000        130.00445623549598        142.99999998968926        3.2581519068959768        3.3406937925563565        6316.7465981996284        6542.5896708237597       -16.563922723340426       -16.170000000000002      -0.39392272334042389     
 qinv final  0.78622381563934352        0.0000000000000000        1280.0000000000000        130.37658095077384        142.99999998968926        3.2583736540468715        3.3406937925563560        6325.5654120565814        6542.5896708237606       -16.169765145892995       -16.170000000000002        2.3485410700629927E-004
 qinv final  0.78628347058887660        0.0000000000000000        1280.0000000000000        130.37635917833146        142.99999998968912        3.2583735222367149        3.3406937925563556        6325.5601600584841        6542.5896708237569       -16.169999999619193       -16.170000000000002        3.8080827380326809E-010
 qinv final  0.78628351776638317        0.0000000000000000        1280.0000000000000        130.37635900294495        142.99999998968912        3.2583735221324734        3.3406937925563556        6325.5601559049928        6542.5896708237569       -16.170000185350943       -16.170000000000002       -1.8535094170601951E-007
 Changed q  0.78628347058887660       0.78628344110133075     
 before goinv   85.000000000000000        9.9999997764825821E-003   84.000000022351742        85.999999977648258     
 Changed Go   85.000000000000000        85.000000000000000     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.8816731965074158        1.8816731842275622       -8.9250003546476364        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: jd             3
 Theta   1.9764120224863291E-006
 Vo   0.0000000000000000        60.508000000000003        60.508000000000003     
 Gamma   5.8552801496247753E-009
 q   2.9487545849526953E-008
 eta   1.2279853578434086E-008
 Ko   1.9461390365904663E-007
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
jd    60.51 142.29   4.81 820.78   0.90   0.79  85.00   1.71   1.88
 After Vo block
 Changed Ko adiab   142.29226250841077        142.29226249810159     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop intraphase   4.8060985428251595        4.8060985428251595               19          15           7
 Changed theta cal   820.78388790526571        820.78388800388507       -0.0000000000000000        389.73210997363907        389.73211000360925       -2.9970181003591279E-008   0.0000000000000000        1000.0000000000000      jd                                                                              
 gaminv  0.89883489174778475        1073.0000000000000        61.674180524824394        61.674180524824394        60.508000000000003        60.504670587875417        1.0193292505452187        1.0193520700358905       -2.2819490671732723E-005
 gaminv  0.90083489184277965        1073.0000000000000        61.676934548730706        61.676934548730706        60.508000000000003        60.504663181167729        1.0193748928748330        1.0193520700358905        2.2822838942504475E-005
 gaminv  0.89883489174778475        1073.0000000000000        61.674180524824394        61.674180524824394        60.508000000000003        60.504670587875424        1.0193292505452187        1.0193520700358905       -2.2819490671732723E-005
 gaminv  0.90083489184277965        1073.0000000000000        61.676934548730706        61.676934548730706        60.508000000000003        60.504663181167729        1.0193748928748330        1.0193520700358905        2.2822838942504475E-005
 gaminv  0.89983481843638580        1073.0000000000000        61.675557335198569        61.675557335198569        60.508000000000003        60.504666884792243        1.0193520683724420        1.0193520700358905       -1.6634484900635016E-009
 gaminv  0.89983489132699457        1073.0000000000000        61.675557435569793        61.675557435569793        60.508000000000003        60.504666884522301        1.0193520700358905        1.0193520700358905        0.0000000000000000     
 Changed gamma  0.89983489132699457       0.89983489179528220     
 qinv final  0.68628346583913147        0.0000000000000000        1280.0000000000000        130.74797478020670        142.99999999931660        3.2585938205935392        3.3406937925563560        6334.3545821531488        6542.5896710439965       -15.776546860655145       -16.170000000000002       0.39345313934485660     
 qinv final  0.88628347533862173        0.0000000000000000        1280.0000000000000        130.00445614062571        142.99999999931660        3.2581519068805700        3.3406937925563560        6316.7465959097526        6542.5896710439965       -16.563922830545636       -16.170000000000002      -0.39392283054563393     
  0.68628346583913147       0.88628347533862173     
 qinv final  0.68628346583913147        0.0000000000000000        1280.0000000000000        130.74797478020670        142.99999999931660        3.2585938205935392        3.3406937925563560        6334.3545821531488        6542.5896710439965       -15.776546860655145       -16.170000000000002       0.39345313934485660     
 qinv final  0.88628347533862173        0.0000000000000000        1280.0000000000000        130.00445614062571        142.99999999931660        3.2581519068805700        3.3406937925563560        6316.7465959097526        6542.5896710439965       -16.563922830545636       -16.170000000000002      -0.39392283054563393     
 qinv final  0.78622381786374307        0.0000000000000000        1280.0000000000000        130.37658095711416        142.99999999931660        3.2583736540918040        3.3406937925563560        6325.5654121667758        6542.5896710439965       -16.169765145893138       -16.170000000000002        2.3485410686419073E-004
 qinv final  0.78628347281327859        0.0000000000000000        1280.0000000000000        130.37635918467200        142.99999999931660        3.2583735222816479        3.3406937925563560        6325.5601601686831        6542.5896710439965       -16.169999999619236       -16.170000000000002        3.8076564123912249E-010
 qinv final  0.78628351999078527        0.0000000000000000        1280.0000000000000        130.37635900928552        142.99999999931660        3.2583735221774068        3.3406937925563560        6325.5601560151918        6542.5896710439965       -16.170000185350972       -16.170000000000002       -1.8535097012772894E-007
 Changed q  0.78628347281327859       0.78628347058887660     
 before goinv   85.000000000000000        9.9999997764825821E-003   84.000000022351742        85.999999977648258     
 Changed Go   85.000000000000028        85.000000000000000     
 Changed Gop intraphase   1.7138444603383876     
 Changed eta systematics   1.8816731972796639        1.8816731965074158       -8.9250003546476400        300.00000000000000        1000.0000000000000        0.0000000000000000     
mgc2  60.76 116.02   6.24 822.90   1.12   0.20  87.93   1.84   2.14
 volinv          20   0.0000000000000000        300.00000000000000        60.750000000223515        60.750000000223508        60.760000000000005       -9.9999997764967929E-003
 volinv          20   0.0000000000000000        300.00000000000000        60.769999999776481        60.769999999776481        60.760000000000005        9.9999997764754767E-003
 volinv          20   0.0000000000000000        300.00000000000000        60.750000000223515        60.750000000223508        60.760000000000005       -9.9999997764967929E-003
 volinv          20   0.0000000000000000        300.00000000000000        60.769999999776481        60.769999999776481        60.760000000000005        9.9999997764754767E-003
 volinv          20   0.0000000000000000        300.00000000000000        60.760000000000005        60.760000000000012        60.760000000000005        7.1054273576010019E-015
 volinv          20   0.0000000000000000        300.00000000000000        60.759996354399632        60.759996354399625        60.760000000000005       -3.6456003797979974E-006
 Changed Vo   60.760000000000005        60.759999999999998     
 After Vo block
 Changed Ko adiab   116.02493045297473        116.02490000000000     
 Changed Kop adiabatic   6.2368219764115951        6.2368199999999998     
 gaminv   1.1234199999525025        1273.0000000000000        59.624172946691900        59.624172946691900        60.760000000000005        57.899332952936817        1.0297903258256380        1.0298191844980600       -2.8858672421971931E-005
 gaminv   1.1254200000474974        1273.0000000000000        59.627499151140007        59.627499151140007        60.760000000000005        57.899332952936824        1.0298477738872729        1.0298191844980600        2.8589389212907435E-005
 gaminv   1.1234199999525025        1273.0000000000000        59.624172946691900        59.624172946691900        60.760000000000005        57.899332952936817        1.0297903258256380        1.0298191844980600       -2.8858672421971931E-005
 gaminv   1.1254200000474974        1273.0000000000000        59.627499151140007        59.627499151140007        60.760000000000005        57.899332952936824        1.0298477738872729        1.0298191844980600        2.8589389212907435E-005
 gaminv   1.1244246874205011        1273.0000000000000        59.625843707602023        59.625843707602023        60.760000000000005        57.899332952936817        1.0298191821323501        1.0298191844980600       -2.3657098502383178E-009
 gaminv   1.1244247697736443        1273.0000000000000        59.625843844563818        59.625843844563818        60.760000000000005        57.899332952936824        1.0298191844978659        1.0298191844980600       -1.9406698470447736E-013
 gaminv   1.1244248372396279        1273.0000000000000        59.625843956766722        59.625843956766722        60.760000000000005        57.899332952936824        1.0298191864357622        1.0298191844980600        1.9377022208999506E-009
 Changed gamma   1.1244247697736443        1.1244200000000000     
 qinv final  0.10361999525025486        6.5000000000000000        1173.0000000000000        141.47952135479795        156.00941306805984        3.3786288590340523        3.4676979813083668        6471.0766975541628        6707.4086817957586       -14.529891713261890       -14.841000000000001       0.31110828673811142     
 qinv final  0.30362000474974515        6.5000000000000000        1173.0000000000000        140.83870018267424        155.99066366217127        3.3790238718750265        3.4676979813083664        6456.0275374534449        6707.0056173136691       -15.151963479497027       -14.841000000000001      -0.31096347949702619     
  0.10361999525025486       0.30362000474974515     
 qinv final  0.10361999525025486        6.5000000000000000        1173.0000000000000        141.47952135479795        156.00941306805956        3.3786288590340523        3.4676979813083659        6471.0766975541628        6707.4086817957532       -14.529891713261605       -14.841000000000001       0.31110828673839563     
 qinv final  0.30362000474974515        6.5000000000000000        1173.0000000000000        140.83870018267424        155.99066366217127        3.3790238718750265        3.4676979813083664        6456.0275374534449        6707.0056173136691       -15.151963479497027       -14.841000000000001      -0.31096347949702619     
 qinv final  0.20364327822224176        6.5000000000000000        1173.0000000000000        141.15894914818210        156.00001870160023        3.3788259287841669        3.4676979813083659        6463.5527749813646        6707.2067298669253       -14.841069553418123       -14.841000000000001       -6.9553418121870436E-005
 qinv final  0.20362091635471463        6.5000000000000000        1173.0000000000000        141.15902079798988        156.00002079796027        3.3788258846182662        3.4676979813083664        6463.5544576179627        6707.2067749333301       -14.840999999970393       -14.841000000000001        2.9608315799123375E-011
 qinv final  0.20362092857246919        6.5000000000000000        1173.0000000000000        141.15902075884256        156.00002079681488        3.3788258846423962        3.4676979813083664        6463.5544566986218        6707.2067749087073       -14.841000037972321       -14.841000000000001       -3.7972320399148884E-008
 Changed q  0.20362091635471463       0.20362000000000000     
 before goinv   87.927160000000001        9.9999997764825821E-003   86.927160022351742        88.927159977648259     
 Changed Go   87.927140309630360        87.927160000000001     
 Changed Gop   1.8411981847410579        1.8411999999999999     
 Changed eta   2.1411214937676255        2.1411199999999999       -13.094999999999999        1173.0000000000000        6.5000000000000000     
 Looping back for species.  Differences: mgc2           1
 Theta   0.0000000000000000     
 Vo   7.1054273576010019E-015   60.760000000000005        60.759999999999998     
 Gamma   4.7697736442753325E-006
 q   9.1635471463624718E-007
 eta   1.4937676255932786E-006
 Ko   3.0452974726813409E-005
 Kop   1.9764115952725092E-006
 Go   1.9690369640557037E-005
 Gop   1.8152589420505905E-006
mgc2  60.76 116.02   6.24 822.90   1.12   0.20  87.93   1.84   2.14
 After Vo block
 Changed Ko adiab   116.02491040545169        116.02493045297473     
 Changed Kop adiabatic   6.2368230772121471        6.2368219764115951     
 gaminv   1.1234247697261468        1273.0000000000000        59.624180677458654        59.624180677458654        60.760000000000005        57.899332595292890        1.0297904657074750        1.0298191844980600       -2.8718790584969511E-005
 gaminv   1.1254247698211417        1273.0000000000000        59.627506884983802        59.627506884983802        60.760000000000005        57.899332595292904        1.0298479138226093        1.0298191844980600        2.8729324549336965E-005
 gaminv   1.1234247697261468        1273.0000000000000        59.624180677458654        59.624180677458654        60.760000000000005        57.899332595292911        1.0297904657074746        1.0298191844980600       -2.8718790585413601E-005
 gaminv   1.1254247698211417        1273.0000000000000        59.627506884983802        59.627506884983802        60.760000000000005        57.899332595292904        1.0298479138226093        1.0298191844980600        2.8729324549336965E-005
 gaminv   1.1244245864088045        1273.0000000000000        59.625843339290114        59.625843339290114        60.760000000000005        57.899332595292911        1.0298191821322922        1.0298191844980600       -2.3657678038802032E-009
 gaminv   1.1244246687707060        1273.0000000000000        59.625843476266496        59.625843476266496        60.760000000000005        57.899332595292890        1.0298191844980604        1.0298191844980600        4.4408920985006262E-016
 Changed gamma   1.1244246687707060        1.1244247697736443     
 qinv final  0.10362091160496950        6.5000000000000000        1173.0000000000000        141.47950190370224        156.00939882834919        3.3786288802389426        3.4676980027283224        6471.0762324142770        6707.4083549716152       -14.529896924646948       -14.841000000000001       0.31110307535305282     
 qinv final  0.30362092110445976        6.5000000000000000        1173.0000000000000        140.83868082537060        155.99064942400275        3.3790238932107428        3.4676980027283220        6456.0270734030873        6707.0052905055272       -15.151968598632152       -14.841000000000001      -0.31096859863215087     
  0.10362091160496950       0.30362092110445976     
 qinv final  0.10362091160496950        6.5000000000000000        1173.0000000000000        141.47950190370193        156.00939882834888        3.3786288802389421        3.4676980027283220        6471.0762324142697        6707.4083549716079       -14.529896924646948       -14.841000000000001       0.31110307535305282     
 qinv final  0.30362092110445976        6.5000000000000000        1173.0000000000000        140.83868082537060        155.99064942400275        3.3790238932107428        3.4676980027283215        6456.0270734030873        6707.0052905055272       -15.151968598632152       -14.841000000000001      -0.31096859863215087     
 qinv final  0.20364253391630971        6.5000000000000000        1173.0000000000000        141.15893506490167        156.00000461834122        3.3788259467744184        3.4676980027283220        6463.5524353431138        6707.2064063975004       -14.841069553439553       -14.841000000000001       -6.9553439551839347E-005
 qinv final  0.20362017203874261        6.5000000000000000        1173.0000000000000        141.15900671473167        156.00000671470218        3.3788259026084870        3.4676980027283220        6463.5541179803249        6707.2064514639269       -14.840999999970506       -14.841000000000001        2.9494628961401759E-011
 qinv final  0.20362018425645251        6.5000000000000000        1173.0000000000000        141.15900667558483        156.00000671355679        3.3788259026326175        3.4676980027283211        6463.5541170609949        6707.2064514393051       -14.841000037971952       -14.841000000000001       -3.7971950916926289E-008
 Changed q  0.20362017203874261       0.20362091635471463     
 before goinv   87.927140309630360        9.9999997764825821E-003   86.927140331982102        88.927140287278618     
 Changed Go   87.927152327364766        87.927140309630360     
 Changed Gop   1.8411974125013515        1.8411981847410579     
 Changed eta   2.1411226074746166        2.1411214937676255       -13.094999999999999        1173.0000000000000        6.5000000000000000     
 Looping back for species.  Differences: mgc2           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        60.760000000000005        60.760000000000005     
 Gamma   1.0100293823533946E-007
 q   7.4431597202329058E-007
 eta   1.1137069910738262E-006
 Ko   2.0047523037192150E-005
 Kop   1.1008005520452002E-006
 Go   1.2017734405844749E-005
 Gop   7.7223970640361017E-007
mgc2  60.76 116.02   6.24 822.90   1.12   0.20  87.93   1.84   2.14
 After Vo block
 Changed Ko adiab   116.02490427645472        116.02491040545169     
 Changed Kop adiabatic   6.2368236511320196        6.2368230772121471     
 gaminv   1.1234246687232086        1273.0000000000000        59.624180485252722        59.624180485252722        60.760000000000005        57.899332499350187        1.0297904640942430        1.0298191844980600       -2.8720403816961948E-005
 gaminv   1.1254246688182035        1273.0000000000000        59.627506692821825        59.627506692821825        60.760000000000005        57.899332499350180        1.0298479122102322        1.0298191844980600        2.8727712172216258E-005
 gaminv   1.1234246687232086        1273.0000000000000        59.624180485252715        59.624180485252715        60.760000000000005        57.899332499350180        1.0297904640942430        1.0298191844980600       -2.8720403816961948E-005
 gaminv   1.1254246688182035        1273.0000000000000        59.627506692821825        59.627506692821825        60.760000000000005        57.899332499350180        1.0298479122102322        1.0298191844980600        2.8727712172216258E-005
 gaminv   1.1244245415540781        1273.0000000000000        59.625843240486475        59.625843240486475        60.760000000000005        57.899332499350180        1.0298191821322926        1.0298191844980600       -2.3657673597909934E-009
 gaminv   1.1244246239159623        1273.0000000000000        59.625843377462829        59.625843377462829        60.760000000000005        57.899332499350180        1.0298191844980600        1.0298191844980600        0.0000000000000000     
 Changed gamma   1.1244246239159623        1.1244246687707060     
 qinv final  0.10362016728899748        6.5000000000000000        1173.0000000000000        141.47949996603683        156.00939590811254        3.3786288856827666        3.4676980084745086        6471.0761828879431        6707.4082866385543       -14.529895942075711       -14.841000000000001       0.31110405792428963     
 qinv final  0.30362017678848774        6.5000000000000000        1173.0000000000000        140.83867892451269        155.99064650401564        3.3790238986727457        3.4676980084745086        6456.0270246176424        6707.0052221743927       -15.151967579502951       -14.841000000000001      -0.31096757950295029     
  0.10362016728899748       0.30362017678848774     
 qinv final  0.10362016728899748        6.5000000000000000        1173.0000000000000        141.47949996603683        156.00939590811254        3.3786288856827666        3.4676980084745082        6471.0761828879431        6707.4082866385543       -14.529895942075711       -14.841000000000001       0.31110405792428963     
 qinv final  0.30362017678848774        6.5000000000000000        1173.0000000000000        140.83867892451269        155.99064650401564        3.3790238986727457        3.4676980084745086        6456.0270246176424        6707.0052221743927       -15.151967579502951       -14.841000000000001      -0.31096757950295029     
 qinv final  0.20364211138135374        6.5000000000000000        1173.0000000000000        141.15893211461881        156.00000166806379        3.3788259528628637        3.4676980084745082        6463.5523619741207        6707.2063374169165       -14.841069553444981       -14.841000000000001       -6.9553444980385848E-005
 qinv final  0.20361974950069500        6.5000000000000000        1173.0000000000000        141.15900376445450        156.00000376442500        3.3788259086969230        3.4676980084745086        6463.5540446114874        6707.2063824833494       -14.840999999970506       -14.841000000000001        2.9494628961401759E-011
 qinv final  0.20361976171837953        6.5000000000000000        1173.0000000000000        141.15900372530751        156.00000376327964        3.3788259087210535        3.4676980084745086        6463.5540436921519        6707.2063824587267       -14.841000037972123       -14.841000000000001       -3.7972121447182872E-008
 Changed q  0.20361974950069500       0.20362017203874261     
 before goinv   87.927152327364766        9.9999997764825821E-003   86.927152349716508        88.927152305013024     
 Changed Go   87.927157417842153        87.927152327364766     
 Changed Gop   1.8411970792270274        1.8411974125013515     
 Changed eta   2.1411230825308323        2.1411226074746166       -13.094999999999999        1173.0000000000000        6.5000000000000000     
 Looping back for species.  Differences: mgc2           3
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        60.760000000000005        60.760000000000005     
 Gamma   4.4854743697086974E-008
 q   4.2253804760639113E-007
 eta   4.7505621569854384E-007
 Ko   6.1289969721656234E-006
 Kop   5.7391987251520504E-007
 Go   5.0904773871707221E-006
 Gop   3.3327432413798874E-007
mgc2  60.76 116.02   6.24 822.90   1.12   0.20  87.93   1.84   2.14
 After Vo block
 Changed Ko adiab   116.02490106322577        116.02490427645472     
 Changed Kop adiabatic   6.2368239502558893        6.2368236511320196     
 gaminv   1.1234246238684649        1273.0000000000000        59.624180399030038        59.624180399030038        60.760000000000005        57.899332448951085        1.0297904635014528        1.0298191844980600       -2.8720996607223270E-005
 gaminv   1.1254246239634598        1273.0000000000000        59.627506606625793        59.627506606625793        60.760000000000005        57.899332448951093        1.0298479116179518        1.0298191844980600        2.8727119891769348E-005
 gaminv   1.1234246238684649        1273.0000000000000        59.624180399030038        59.624180399030038        60.760000000000005        57.899332448951085        1.0297904635014528        1.0298191844980600       -2.8720996607223270E-005
 gaminv   1.1254246239634598        1273.0000000000000        59.627506606625793        59.627506606625793        60.760000000000005        57.899332448951093        1.0298479116179518        1.0298191844980600        2.8727119891769348E-005
 gaminv   1.1244245173278753        1273.0000000000000        59.625843188584547        59.625843188584547        60.760000000000005        57.899332448951085        1.0298191821322931        1.0298191844980600       -2.3657669157017835E-009
 gaminv   1.1244245996897431        1273.0000000000000        59.625843325560872        59.625843325560872        60.760000000000005        57.899332448951078        1.0298191844980602        1.0298191844980600        2.2204460492503131E-016
 Changed gamma   1.1244245996897431        1.1244246239159623     
 qinv final  0.10361974475094987        6.5000000000000000        1173.0000000000000        141.47949905458978        156.00939436869010        3.3786288885331892        3.4676980114930038        6471.0761593140796        6707.4082506266168       -14.529895314100315       -14.841000000000001       0.31110468589968576     
 qinv final  0.30361975425044013        6.5000000000000000        1173.0000000000000        140.83867803266551        155.99064496472181        3.3790239015321308        3.4676980114930029        6456.0270014449652        6707.0051861634074       -15.151966932056297       -14.841000000000001      -0.31096693205629578     
  0.10361974475094987       0.30361975425044013     
 qinv final  0.10361974475094987        6.5000000000000000        1173.0000000000000        141.47949905458978        156.00939436869010        3.3786288885331897        3.4676980114930034        6471.0761593140787        6707.4082506266177       -14.529895314100315       -14.841000000000001       0.31110468589968576     
 qinv final  0.30361975425044013        6.5000000000000000        1173.0000000000000        140.83867803266551        155.99064496472181        3.3790239015321313        3.4676980114930034        6456.0270014449652        6707.0051861634065       -15.151966932056297       -14.841000000000001      -0.31096693205629578     
 qinv final  0.20364189387217196        6.5000000000000000        1173.0000000000000        141.15893055603729        156.00000010948503        3.3788259561227103        3.4676980114930034        6463.5523231730576        6707.2063009922585       -14.841069553447738       -14.841000000000001       -6.9553447737291663E-005
 qinv final  0.20361953198990640        6.5000000000000000        1173.0000000000000        141.15900220587568        156.00000220584604        3.3788259119567647        3.4676980114930025        6463.5540058104989        6707.2063460586878       -14.840999999970364       -14.841000000000001        2.9636737508553779E-011
 qinv final  0.20361954420757788        6.5000000000000000        1173.0000000000000        141.15900216672895        156.00000220470065        3.3788259119808952        3.4676980114930025        6463.5540048911698        6707.2063460340651       -14.841000037971696       -14.841000000000001       -3.7971695121541416E-008
 Changed q  0.20361953198990640       0.20361974950069500     
 before goinv   87.927157417842153        9.9999997764825821E-003   86.927157440193895        88.927157395490411     
 Changed Go   87.927159626835419        87.927157417842153     
 Changed Gop   1.8411969374546109        1.8411970792270274     
 Changed eta   2.1411232951915666        2.1411230825308323       -13.094999999999999        1173.0000000000000        6.5000000000000000     
 Looping back for species.  Differences: mgc2           4
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        60.760000000000005        60.760000000000005     
 Gamma   2.4226219252909686E-008
 q   2.1751078860265949E-007
 eta   2.1266073435555199E-007
 Ko   3.2132289504716027E-006
 Kop   2.9912386967367866E-007
 Go   2.2089932656399469E-006
 Gop   1.4177241647317373E-007
mgc2  60.76 116.02   6.24 822.90   1.12   0.20  87.93   1.84   2.14
 After Vo block
 Changed Ko adiab   116.02489939034524        116.02490106322577     
 Changed Kop adiabatic   6.2368241061625627        6.2368239502558893     
 gaminv   1.1234245996422456        1273.0000000000000        59.624180352605379        59.624180352605379        60.760000000000005        57.899332422722097        1.0297904631661414        1.0298191844980600       -2.8721331918557524E-005
 gaminv   1.1254245997372405        1273.0000000000000        59.627506560214606        59.627506560214606        60.760000000000005        57.899332422722111        1.0298479112828991        1.0298191844980600        2.8726784839117059E-005
 gaminv   1.1234245996422456        1273.0000000000000        59.624180352605379        59.624180352605379        60.760000000000005        57.899332422722104        1.0297904631661414        1.0298191844980600       -2.8721331918557524E-005
 gaminv   1.1254245997372405        1273.0000000000000        59.627506560214606        59.627506560214606        60.760000000000005        57.899332422722111        1.0298479112828991        1.0298191844980600        2.8726784839117059E-005
 gaminv   1.1244245047706904        1273.0000000000000        59.625843161573428        59.625843161573428        60.760000000000005        57.899332422722104        1.0298191821322928        1.0298191844980600       -2.3657671377463885E-009
 gaminv   1.1244245871325653        1273.0000000000000        59.625843298549775        59.625843298549775        60.760000000000005        57.899332422722104        1.0298191844980602        1.0298191844980600        2.2204460492503131E-016
 Changed gamma   1.1244245871325653        1.1244245996897431     
 qinv final  0.10361952724016127        6.5000000000000000        1173.0000000000000        141.47949857218072        156.00939356811492        3.3786288900173291        3.4676980130639050        6471.0761468604342        6707.4082318975443       -14.529894995934200       -14.841000000000001       0.31110500406580144     
 qinv final  0.30361953673965153        6.5000000000000000        1173.0000000000000        140.83867756043747        155.99064416421405        3.3790239030209803        3.4676980130639055        6456.0269891992175        6707.0051674348397       -15.151966603776572       -14.841000000000001      -0.31096660377657059     
  0.10361952724016127       0.30361953673965153     
 qinv final  0.10361952724016127        6.5000000000000000        1173.0000000000000        141.47949857218072        156.00939356811520        3.3786288900173291        3.4676980130639059        6471.0761468604342        6707.4082318975488       -14.529894995934484       -14.841000000000001       0.31110500406551722     
 qinv final  0.30361953673965153        6.5000000000000000        1173.0000000000000        140.83867756043722        155.99064416421376        3.3790239030209794        3.4676980130639050        6456.0269891992120        6707.0051674348333       -15.151966603776543       -14.841000000000001      -0.31096660377654217     
 qinv final  0.20364178027994312        6.5000000000000000        1173.0000000000000        141.15892974575237        155.99999929920142        3.3788259578144491        3.4676980130639050        6463.5523030038021        6707.2062820540068       -14.841069553449046       -14.841000000000001       -6.9553449044690296E-005
 qinv final  0.20361941839688327        6.5000000000000000        1173.0000000000000        141.15900139559227        156.00000139556309        3.3788259136485017        3.4676980130639059        6463.5539856412834        6707.2063271204479       -14.840999999970819       -14.841000000000001        2.9181990157667315E-011
 qinv final  0.20361943061454793        6.5000000000000000        1173.0000000000000        141.15900135644540        156.00000139441772        3.3788259136726317        3.4676980130639055        6463.5539847219525        6707.2063270958261       -14.841000037972321       -14.841000000000001       -3.7972320399148884E-008
 Changed q  0.20361941839688327       0.20361953198990640     
 before goinv   87.927159626835419        9.9999997764825821E-003   86.927159649187161        88.927159604483677     
 Changed Go   87.927160573129726        87.927159626835419     
 Changed Gop   1.8411968782659502        1.8411969374546109     
 Changed eta   2.1411233891672179        2.1411232951915666       -13.094999999999999        1173.0000000000000        6.5000000000000000     
 Looping back for species.  Differences: mgc2           5
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        60.760000000000005        60.760000000000005     
 Gamma   1.2557177742067438E-008
 q   1.1359302312663466E-007
 eta   9.3975651260791437E-008
 Ko   1.6728805292132165E-006
 Kop   1.5590667334919317E-007
 Go   9.4629430691384187E-007
 Gop   5.9188660639364343E-008
mgc2  60.76 116.02   6.24 822.90   1.12   0.20  87.93   1.84   2.14
 After Vo block
 Changed Ko adiab   116.02489851826979        116.02489939034524     
 Changed Kop adiabatic   6.2368241874224770        6.2368241061625627     
 gaminv   1.1234245870850679        1273.0000000000000        59.624180328530628        59.624180328530628        60.760000000000005        57.899332409048085        1.0297904629935422        1.0298191844980600       -2.8721504517825736E-005
 gaminv   1.1254245871800628        1273.0000000000000        59.627506536146896        59.627506536146896        60.760000000000005        57.899332409048064        1.0298479111104357        1.0298191844980600        2.8726612375740146E-005
 gaminv   1.1234245870850679        1273.0000000000000        59.624180328530628        59.624180328530628        60.760000000000005        57.899332409048071        1.0297904629935424        1.0298191844980600       -2.8721504517603691E-005
 gaminv   1.1254245871800628        1273.0000000000000        59.627506536146896        59.627506536146896        60.760000000000005        57.899332409048064        1.0298479111104357        1.0298191844980600        2.8726612375740146E-005
 gaminv   1.1244244982200187        1273.0000000000000        59.625843147491643        59.625843147491643        60.760000000000005        57.899332409048071        1.0298191821322928        1.0298191844980600       -2.3657671377463885E-009
 gaminv   1.1244245805818933        1273.0000000000000        59.625843284467976        59.625843284467976        60.760000000000005        57.899332409048064        1.0298191844980600        1.0298191844980600        0.0000000000000000     
 Changed gamma   1.1244245805818933        1.1244245871325653     
 qinv final  0.10361941364713814        6.5000000000000000        1173.0000000000000        141.47949832135225        156.00939315070119        3.3786288907910023        3.4676980138828690        6471.0761403832548        6707.4082221324388       -14.529894829348933       -14.841000000000001       0.31110517065106791     
 qinv final  0.30361942314662838        6.5000000000000000        1173.0000000000000        140.83867731491776        155.99064374683493        3.3790239037971044        3.4676980138828686        6456.0269828304827        6707.0051576699880       -15.151966431917174       -14.841000000000001      -0.31096643191717277     
  0.10361941364713814       0.30361942314662838     
 qinv final  0.10361941364713814        6.5000000000000000        1173.0000000000000        141.47949832135225        156.00939315070119        3.3786288907910023        3.4676980138828690        6471.0761403832548        6707.4082221324388       -14.529894829348933       -14.841000000000001       0.31110517065106791     
 qinv final  0.30361942314662838        6.5000000000000000        1173.0000000000000        140.83867731491776        155.99064374683493        3.3790239037971044        3.4676980138828686        6456.0269828304827        6707.0051576699880       -15.151966431917174       -14.841000000000001      -0.31096643191717277     
 qinv final  0.20364172109321468        6.5000000000000000        1173.0000000000000        141.15892932325499        155.99999887670475        3.3788259586968032        3.4676980138828690        6463.5522924869438        6707.2062721793855       -14.841069553449756       -14.841000000000001       -6.9553449755233032E-005
 qinv final  0.20361935920973137        6.5000000000000000        1173.0000000000000        141.15900097309546        156.00000097306616        3.3788259145308546        3.4676980138828690        6463.5539751244405        6707.2063172458220       -14.840999999970705       -14.841000000000001        2.9295676995388931E-011
 qinv final  0.20361937142739248        6.5000000000000000        1173.0000000000000        141.15900093394859        156.00000097192080        3.3788259145549842        3.4676980138828681        6463.5539742051105        6707.2063172212011       -14.841000037972208       -14.841000000000001       -3.7972206712311163E-008
 Changed q  0.20361935920973137       0.20361941839688327     
 before goinv   87.927160573129726        9.9999997764825821E-003   86.927160595481467        88.927160550777984     
 Changed Go   87.927160971938775        87.927160573129726     
 Changed Gop   1.8411968541898380        1.8411968782659502     
 Changed eta   2.1411234304436304        2.1411233891672179       -13.094999999999999        1173.0000000000000        6.5000000000000000     
fec2  63.85 116.02   6.24 698.72   1.12   0.20  75.15   1.84   0.98
 After Vo block
 Changed Ko intraphase   116.02489851826979        116.02490000000000     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   6.2368241874224770        6.2368199999999998               21          20           8
 Changed Vo comp   63.854138281069773        63.854140000000001     
 Changed gamma intraphase   1.1244245805818933     
 Changed q intraphase  0.20361935920973137     
 Changed G systematics   75.147210557540689     
 Changed Gop intraphase   1.8411968541898380     
 Changed eta systematics  0.98031236326669724       0.98031000000000001       -7.8904574220803676        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fec2           1
 Theta   0.0000000000000000     
 Vo   1.7189302283782126E-006   63.854138281069773        63.854140000000001     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.3632666972250860E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   5.5754068739588547E-007
 Gop   0.0000000000000000     
fec2  63.85 116.02   6.24 698.72   1.12   0.20  75.15   1.84   0.98
 After Vo block
 Changed Ko intraphase   116.02489851826979        116.02489851826979     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   6.2368241874224770        6.2368241874224770               21          20           8
 Changed Vo comp   63.854138281069766        63.854138281069773     
 Changed gamma intraphase   1.1244245805818933     
 Changed q intraphase  0.20361935920973137     
 Changed G systematics   75.147210557540689     
 Changed Gop intraphase   1.8411968541898380     
 Changed eta systematics  0.98031236326669446       0.98031236326669724       -7.8904574220803676        300.00000000000000        1000.0000000000000        0.0000000000000000     
capv  27.45 236.00   3.90 798.79   1.89   0.90 155.21   2.23   1.23
 After Vo block
   226.00000022351742        245.99999977648258     
 Changed Ko isoth   236.00000000000000        236.00000000000000     
 Changed Kop isoth one   3.8999999999999999        3.8999999999999999     
 gaminv   1.8884299999525025        1600.0000000000000        24.767056624634730        24.767056624634730        27.449999999999999        24.074207993209686        1.0287797061328234        1.0287948822458761       -1.5176113052683959E-005
 gaminv   1.8904300000474974        1600.0000000000000        24.767787886015924        24.767787886015924        27.449999999999999        24.074207993209686        1.0288100814366092        1.0287948822458761        1.5199190733117263E-005
 gaminv   1.8884299999525025        1600.0000000000000        24.767056624634730        24.767056624634730        27.449999999999999        24.074207993209690        1.0287797061328232        1.0287948822458761       -1.5176113052906004E-005
 gaminv   1.8904300000474974        1600.0000000000000        24.767787886015924        24.767787886015924        27.449999999999999        24.074207993209686        1.0288100814366092        1.0287948822458761        1.5199190733117263E-005
 gaminv   1.8894292402485429        1600.0000000000000        24.767421982031102        24.767421982031102        27.449999999999999        24.074207993209690        1.0287948824325577        1.0287948822458761        1.8668155910006590E-010
 gaminv   1.8894291268822925        1600.0000000000000        24.767421940580927        24.767421940580927        27.449999999999999        24.074207993209694        1.0287948807107905        1.0287948822458761       -1.5350856141793656E-009
 Changed gamma   1.8894292402485429        1.8894299999999999     
 qinv final  0.79661999525025484        0.0000000000000000        1600.0000000000000        221.26056642524671        239.49846773239386        4.0302242575426979        4.2318397085610195        7409.4744293499189        7522.9255682105722       -41.110646985462665       -42.900000000000006        1.7893530145373404     
 qinv final  0.99662000474974510        0.0000000000000000        1600.0000000000000        218.31403758133632        239.49846773239386        4.0275971236442949        4.2318397085610195        7362.3730595135585        7522.9255682105722       -44.706540896488633       -42.900000000000006       -1.8065408964886274     
  0.79661999525025484       0.99662000474974510     
 qinv final  0.79661999525025484        0.0000000000000000        1600.0000000000000        221.26056642524671        239.49846773239386        4.0302242575426979        4.2318397085610195        7409.4744293499189        7522.9255682105722       -41.110646985462665       -42.900000000000006        1.7893530145373404     
 qinv final  0.99662000474974510        0.0000000000000000        1600.0000000000000        218.31403758133632        239.49846773239386        4.0275971236442949        4.2318397085610195        7362.3730595135585        7522.9255682105722       -44.706540896488633       -42.900000000000006       -1.8065408964886274     
 qinv final  0.89614201363018620        0.0000000000000000        1600.0000000000000        219.79905699202837        239.49846773239386        4.0289288489618045        4.2318397085610195        7386.1498356614284        7522.9255682105722       -42.891502219184275       -42.900000000000006        8.4977808157304935E-003
 qinv final  0.89661468358458662        0.0000000000000000        1600.0000000000000        219.79209369626568        239.49846773239406        4.0289226410510377        4.2318397085610204        7386.0385274177879        7522.9255682105750       -42.899999875068971       -42.900000000000006        1.2493103440647246E-007
 qinv final  0.89661473738196573        0.0000000000000000        1600.0000000000000        219.79209290371955        239.49846773239406        4.0289226403444482        4.2318397085610204        7386.0385147488441        7522.9255682105750       -42.900000842259374       -42.900000000000006       -8.4225936802795331E-007
 Changed q  0.89661468358458662       0.89661999999999997     
 before goinv   155.20524000000000        9.9999997764825821E-003   154.20524002235175        156.20523997764826     
 Changed Go   155.20524201016030        155.20524000000000     
 Changed Gop   2.2263714529508647        2.2263700000000002     
 Changed eta systematics   1.2349273849439375        1.2349300000000001       -16.296551058633565        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: capv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        27.449999999999999        27.449999999999999     
 Gamma   7.5975145708007119E-007
 q   5.3164154133478192E-006
 eta   2.6150560625826103E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   2.0101603013245040E-006
 Gop   1.4529508645111378E-006
capv  27.45 236.00   3.90 798.79   1.89   0.90 155.21   2.23   1.23
 After Vo block
   226.00000022351742        245.99999977648258     
 Changed Ko isoth   236.00000000000000        236.00000000000000     
 Changed Kop isoth one   3.8999999999999999        3.8999999999999999     
 gaminv   1.8884292402010454        1600.0000000000000        24.767056623927338        24.767056623927338        27.449999999999999        24.074207993209690        1.0287797061034394        1.0287948822458761       -1.5176142436734708E-005
 gaminv   1.8904292402960403        1600.0000000000000        24.767787885432416        24.767787885432416        27.449999999999999        24.074207993209686        1.0288100814123713        1.0287948822458761        1.5199166495172278E-005
 gaminv   1.8884292402010454        1600.0000000000000        24.767056623927335        24.767056623927335        27.449999999999999        24.074207993209694        1.0287797061034392        1.0287948822458761       -1.5176142436956752E-005
 gaminv   1.8904292402960403        1600.0000000000000        24.767787885432416        24.767787885432416        27.449999999999999        24.074207993209694        1.0288100814123708        1.0287948822458761        1.5199166494728189E-005
 gaminv   1.8894284822625445        1600.0000000000000        24.767421982031131        24.767421982031131        27.449999999999999        24.074207993209694        1.0287948824325586        1.0287948822458761        1.8668244727848560E-010
 gaminv   1.8894283688963396        1600.0000000000000        24.767421940580967        24.767421940580967        27.449999999999999        24.074207993209694        1.0287948807107923        1.0287948822458761       -1.5350838378225262E-009
 Changed gamma   1.8894284822625445        1.8894292402485429     
 qinv final  0.79661467883484149        0.0000000000000000        1600.0000000000000        221.26063678992725        239.49846492542022        4.0302244123313224        4.2318397085610195        7409.4754652325491        7522.9255241254186       -41.110538654181340       -42.900000000000006        1.7894613458186654     
 qinv final  0.99661468833433176        0.0000000000000000        1600.0000000000000        218.31411089439840        239.49846492542042        4.0275972838675900        4.2318397085610204        7362.3741492673580        7522.9255241254214       -44.706427869877160       -42.900000000000006       -1.8064278698771545     
  0.79661467883484149       0.99661468833433176     
 qinv final  0.79661467883484149        0.0000000000000000        1600.0000000000000        221.26063678992725        239.49846492542042        4.0302244123313224        4.2318397085610204        7409.4754652325491        7522.9255241254214       -41.110538654181539       -42.900000000000006        1.7894613458184665     
 qinv final  0.99661468833433176        0.0000000000000000        1600.0000000000000        218.31411089439840        239.49846492542042        4.0275972838675900        4.2318397085610204        7362.3741492673580        7522.9255241254214       -44.706427869877160       -42.900000000000006       -1.8064278698771545     
 qinv final  0.89614285245056569        0.0000000000000000        1600.0000000000000        219.79903812835556        239.49846492542042        4.0289289255713499        4.2318397085610204        7386.1494484897103        7522.9255241254214       -42.891502243036086       -42.900000000000006        8.4977569639193007E-003
 qinv final  0.89661552142032519        0.0000000000000000        1600.0000000000000        219.79207485132270        239.49846492542042        4.0289227176794435        4.2318397085610204        7386.0381405391709        7522.9255241254214       -42.899999875069312       -42.900000000000006        1.2493069334595930E-007
 qinv final  0.89661557521775459        0.0000000000000000        1600.0000000000000        219.79207405877645        239.49846492542042        4.0289227169728541        4.2318397085610204        7386.0381278702253        7522.9255241254214       -42.900000842259772       -42.900000000000006       -8.4225976593188534E-007
 Changed q  0.89661552142032519       0.89661468358458662     
 before goinv   155.20524201016030        9.9999997764825821E-003   154.20524203251205        156.20524198780856     
 Changed Go   155.20524461003163        155.20524201016030     
 Changed Gop   2.2263714834489252        2.2263714529508647     
 Changed eta systematics   1.2349292608910791        1.2349273849439375       -16.296551331620062        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: capv           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        27.449999999999999        27.449999999999999     
 Gamma   7.5798599841192527E-007
 q   8.3783573856521798E-007
 eta   1.8759471416274209E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   2.5998713226726977E-006
 Gop   3.0498060521466641E-008
capv  27.45 236.00   3.90 798.79   1.89   0.90 155.21   2.23   1.23
 After Vo block
   226.00000022351742        245.99999977648258     
 Changed Ko isoth   236.00000000000000        236.00000000000000     
 Changed Kop isoth one   3.8999999999999999        3.8999999999999999     
 gaminv   1.8884284822150470        1600.0000000000000        24.767056303110142        24.767056303110142        27.449999999999999        24.074207993209690        1.0287796927772608        1.0287948822458761       -1.5189468615339763E-005
 gaminv   1.8904284823100419        1600.0000000000000        24.767787564611474        24.767787564611474        27.449999999999999        24.074207993209694        1.0288100680860368        1.0287948822458761        1.5185840160691910E-005
 gaminv   1.8884284822150470        1600.0000000000000        24.767056303110142        24.767056303110142        27.449999999999999        24.074207993209690        1.0287796927772608        1.0287948822458761       -1.5189468615339763E-005
 gaminv   1.8904284823100419        1600.0000000000000        24.767787564611474        24.767787564611474        27.449999999999999        24.074207993209694        1.0288100680860368        1.0287948822458761        1.5185840160691910E-005
 gaminv   1.8894286017166328        1600.0000000000000        24.767421982031124        24.767421982031124        27.449999999999999        24.074207993209690        1.0287948824325586        1.0287948822458761        1.8668244727848560E-010
 gaminv   1.8894284883504209        1600.0000000000000        24.767421940580956        24.767421940580956        27.449999999999999        24.074207993209690        1.0287948807107918        1.0287948822458761       -1.5350842819117361E-009
 Changed gamma   1.8894286017166328        1.8894284822625445     
 qinv final  0.79661551667058006        0.0000000000000000        1600.0000000000000        221.26062570087510        239.49846536778250        4.0302243879375652        4.2318397085610195        7409.4753019836635        7522.9255310729759       -41.110555726539900       -42.900000000000006        1.7894442734601057     
 qinv final  0.99661552617007032        0.0000000000000000        1600.0000000000000        218.31409934069902        239.49846536778270        4.0275972586173623        4.2318397085610204        7362.3739775287004        7522.9255310729777       -44.706445682191344       -42.900000000000006       -1.8064456821913382     
  0.79661551667058006       0.99661552617007032     
 qinv final  0.79661551667058006        0.0000000000000000        1600.0000000000000        221.26062570087510        239.49846536778270        4.0302243879375652        4.2318397085610204        7409.4753019836635        7522.9255310729777       -41.110555726540099       -42.900000000000006        1.7894442734599068     
 qinv final  0.99661552617007032        0.0000000000000000        1600.0000000000000        218.31409934069902        239.49846536778270        4.0275972586173623        4.2318397085610204        7362.3739775287004        7522.9255310729777       -44.706445682191344       -42.900000000000006       -1.8064456821913382     
 qinv final  0.89614272025709063        0.0000000000000000        1600.0000000000000        219.79904110116144        239.49846536778270        4.0289289134981443        4.2318397085610204        7386.1495095057217        7522.9255310729777       -42.891502239272853       -42.900000000000006        8.4977607271525812E-003
 qinv final  0.89661538938226459        0.0000000000000000        1600.0000000000000        219.79207782117356        239.49846536778270        4.0289227056032635        4.2318397085610204        7386.0382015089381        7522.9255310729777       -42.899999875068971       -42.900000000000006        1.2493103440647246E-007
 qinv final  0.89661544317968600        0.0000000000000000        1600.0000000000000        219.79207702862698        239.49846536778270        4.0289227048966731        4.2318397085610204        7386.0381888399879        7522.9255310729777       -42.900000842259800       -42.900000000000006       -8.4225979435359477E-007
 Changed q  0.89661538938226459       0.89661552142032519     
 before goinv   155.20524461003163        9.9999997764825821E-003   154.20524463238337        156.20524458767989     
 Changed Go   155.20524065944565        155.20524461003163     
 Changed Gop   2.2263714701881629        2.2263714834489252     
 Changed eta systematics   1.2349288590959782        1.2349292608910791       -16.296550916808521        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: capv           3
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        27.449999999999999        27.449999999999999     
 Gamma   1.1945408839864058E-007
 q   1.3203806059625123E-007
 eta   4.0179510096827187E-007
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.9505859774635610E-006
 Gop   1.3260762266043002E-008
capv  27.45 236.00   3.90 798.79   1.89   0.90 155.21   2.23   1.23
 After Vo block
   226.00000022351742        245.99999977648258     
 Changed Ko isoth   236.00000000000000        236.00000000000000     
 Changed Kop isoth one   3.8999999999999999        3.8999999999999999     
 gaminv   1.8884286016691354        1600.0000000000000        24.767056353669027        24.767056353669027        27.449999999999999        24.074207993209690        1.0287796948773875        1.0287948822458761       -1.5187368488600583E-005
 gaminv   1.8904286017641303        1600.0000000000000        24.767787615170953        24.767787615170953        27.449999999999999        24.074207993209686        1.0288100701861882        1.0287948822458761        1.5187940312078041E-005
 gaminv   1.8884286016691354        1600.0000000000000        24.767056353669020        24.767056353669020        27.449999999999999        24.074207993209694        1.0287796948773871        1.0287948822458761       -1.5187368489044673E-005
 gaminv   1.8904286017641303        1600.0000000000000        24.767787615170953        24.767787615170953        27.449999999999999        24.074207993209686        1.0288100701861882        1.0287948822458761        1.5187940312078041E-005
 gaminv   1.8894285828913737        1600.0000000000000        24.767421982031131        24.767421982031131        27.449999999999999        24.074207993209694        1.0287948824325586        1.0287948822458761        1.8668244727848560E-010
 gaminv   1.8894284695251629        1600.0000000000000        24.767421940580959        24.767421940580959        27.449999999999999        24.074207993209694        1.0287948807107918        1.0287948822458761       -1.5350842819117361E-009
 Changed gamma   1.8894285828913737        1.8894286017166328     
 qinv final  0.79661538463251946        0.0000000000000000        1600.0000000000000        221.26062744844583        239.49846529806879        4.0302243917818794        4.2318397085610195        7409.4753277107493        7522.9255299780807       -41.110553036034929       -42.900000000000006        1.7894469639650765     
 qinv final  0.99661539413200972        0.0000000000000000        1600.0000000000000        218.31410116149570        239.49846529806899        4.0275972625966512        4.2318397085610204        7362.3740045937293        7522.9255299780834       -44.706442875073463       -42.900000000000006       -1.8064428750734578     
  0.79661538463251946       0.99661539413200972     
 qinv final  0.79661538463251946        0.0000000000000000        1600.0000000000000        221.26062744844583        239.49846529806899        4.0302243917818794        4.2318397085610204        7409.4753277107493        7522.9255299780834       -41.110553036035128       -42.900000000000006        1.7894469639648776     
 qinv final  0.99661539413200972        0.0000000000000000        1600.0000000000000        218.31410116149570        239.49846529806899        4.0275972625966512        4.2318397085610204        7362.3740045937293        7522.9255299780834       -44.706442875073463       -42.900000000000006       -1.8064428750734578     
 qinv final  0.89614274109000247        0.0000000000000000        1600.0000000000000        219.79904063266466        239.49846529806899        4.0289289154008099        4.2318397085610204        7386.1494998899570        7522.9255299780834       -42.891502239866014       -42.900000000000006        8.4977601339915054E-003
 qinv final  0.89661541019067870        0.0000000000000000        1600.0000000000000        219.79207735314242        239.49846529806899        4.0289227075063971        4.2318397085610204        7386.0381919004603        7522.9255299780834       -42.899999875069170       -42.900000000000006        1.2493083545450645E-007
 qinv final  0.89661546398810144        0.0000000000000000        1600.0000000000000        219.79207656059603        239.49846529806899        4.0289227067998086        4.2318397085610204        7386.0381792315120        7522.9255299780834       -42.900000842259800       -42.900000000000006       -8.4225979435359477E-007
 Changed q  0.89661541019067870       0.89661538938226459     
 before goinv   155.20524065944565        9.9999997764825821E-003   154.20524068179739        156.20524063709391     
 Changed Go   155.20524150248119        155.20524065944565     
 Changed Gop   2.2263714729550785        2.2263714701881629     
 Changed eta systematics   1.2349289287562972        1.2349288590959782       -16.296551005327256        300.00000000000000        1000.0000000000000        0.0000000000000000     
mgil  26.35 210.69   5.22 932.60   1.19   2.22 132.00   1.81   3.40
 volinv          23   0.0000000000000000        300.00000000000000        26.344000000223517        26.344000000223517        26.353999999999996       -9.9999997764790294E-003
 volinv          23   0.0000000000000000        300.00000000000000        26.363999999776482        26.363999999776478        26.353999999999996        9.9999997764825821E-003
 volinv          23   0.0000000000000000        300.00000000000000        26.344000000223517        26.344000000223513        26.353999999999996       -9.9999997764825821E-003
 volinv          23   0.0000000000000000        300.00000000000000        26.363999999776482        26.363999999776485        26.353999999999996        9.9999997764896875E-003
 volinv          23   0.0000000000000000        300.00000000000000        26.353999999999996        26.353999999999996        26.353999999999996        0.0000000000000000     
 Changed Vo   26.353999999999996        26.353999999999999     
 After Vo block
 Changed Ko adiab   210.69386500380600        210.69387000000000     
 Changed Kop adiabatic   5.2154039385151263        5.2153999999999998     
 gaminv   1.1935799999525025        876.00000000000000        26.727051417221745        26.727051417221745        26.353999999999996        26.353091620804019        1.0141903576930802        1.0142031192998366       -1.2761606756450661E-005
 gaminv   1.1955800000474974        876.00000000000000        26.727724695923531        26.727724695923531        26.353999999999996        26.353090099024378        1.0142159646360798        1.0142031192998366        1.2845336243128003E-005
 gaminv   1.1935799999525025        876.00000000000000        26.727051417221745        26.727051417221745        26.353999999999996        26.353091620804015        1.0141903576930804        1.0142031192998366       -1.2761606756228616E-005
 gaminv   1.1955800000474974        876.00000000000000        26.727724695923531        26.727724695923531        26.353999999999996        26.353090099024378        1.0142159646360798        1.0142031192998366        1.2845336243128003E-005
 gaminv   1.1945767302035670        876.00000000000000        26.727386931616834        26.727386931616834        26.353999999999996        26.353090862401995        1.0142031183806546        1.0142031192998366       -9.1918206379659750E-010
 gaminv   1.1945768019952325        876.00000000000000        26.727386955784723        26.727386955784723        26.353999999999996        26.353090862347369        1.0142031192998366        1.0142031192998366        0.0000000000000000     
 Changed gamma   1.1945768019952325        1.1945800000000000     
 qinv final   2.1245999952502550        20.000000000000000        1500.0000000000000        284.26802612252885        311.19236757735843        4.0365918510005612        4.1163387004967467        8391.8282601747396        8694.7863981000082       -26.924341454829573       -27.360000000000003       0.43565854517042979     
 qinv final   2.3246000047497453        20.000000000000000        1500.0000000000000        283.36791836828627        311.16377355158500        4.0375539047779601        4.1163387004967458        8377.5334993826837        8694.3869270916566       -27.795855183298727       -27.360000000000003      -0.43585518329872386     
   2.1245999952502550        2.3246000047497453     
 qinv final   2.1245999952502550        20.000000000000000        1500.0000000000000        284.26802612252885        311.19236757735843        4.0365918510005612        4.1163387004967467        8391.8282601747396        8694.7863981000082       -26.924341454829573       -27.360000000000003       0.43565854517042979     
 qinv final   2.3246000047497453        20.000000000000000        1500.0000000000000        283.36791836828627        311.16377355158500        4.0375539047779601        4.1163387004967458        8377.5334993826837        8694.3869270916566       -27.795855183298727       -27.360000000000003      -0.43585518329872386     
 qinv final   2.2245774371726790        20.000000000000000        1500.0000000000000        283.81813626774306        311.17803153473130        4.0370717845189681        4.1163387004967467        8384.6866327176522        8694.5861196275255       -27.359895266988246       -27.360000000000003        1.0473301175650818E-004
 qinv final   2.2246014719137781        20.000000000000000        1500.0000000000000        283.81802809869771        311.17802809846063        4.0370719001319042        4.1163387004967467        8384.6849148679721        8694.5860716213210       -27.359999999762920       -27.360000000000003        2.3708324192739383E-010
 qinv final   2.2246016053903617        20.000000000000000        1500.0000000000000        283.81802749798209        311.17802807937727        4.0370719007739586        4.1163387004967467        8384.6849053279129        8694.5860713547190       -27.360000581395184       -27.360000000000003       -5.8139518088751174E-007
 Changed q   2.2246014719137781        2.2246000000000001     
 before goinv   132.00000000000000        9.9999997764825821E-003   131.00000002235174        132.99999997764826     
 Changed Go   132.00000000000000        132.00000000000000     
 Changed Gop   1.8149175344137922        1.8149200000000001     
 Changed eta   3.4017415138832643        3.4017400000000002       -27.000000000000000        1500.0000000000000        20.000000000000000     
 Looping back for species.  Differences: mgil           1
 Theta   0.0000000000000000     
 Vo   3.5527136788005009E-015   26.353999999999996        26.353999999999999     
 Gamma   3.1980047674462497E-006
 q   1.4719137779728442E-006
 eta   1.5138832640815281E-006
 Ko   4.9961940078446787E-006
 Kop   3.9385151264781371E-006
 Go   0.0000000000000000     
 Gop   2.4655862078670765E-006
mgil  26.35 210.69   5.22 932.60   1.19   2.22 132.00   1.81   3.40
 After Vo block
 Changed Ko adiab   210.69387199709294        210.69386500380600     
 Changed Kop adiabatic   5.2154038379949732        5.2154039385151263     
 gaminv   1.1935768019477351        876.00000000000000        26.727050335590331        26.727050335590331        26.353999999999996        26.353091623267538        1.0141903165544577        1.0142031192998366       -1.2802745378959202E-005
 gaminv   1.1955768020427300        876.00000000000000        26.727723613987553        26.727723613987553        26.353999999999996        26.353090101487947        1.0142159234858934        1.0142031192998366        1.2804186056758482E-005
 gaminv   1.1935768019477351        876.00000000000000        26.727050335590331        26.727050335590331        26.353999999999996        26.353091623267538        1.0141903165544577        1.0142031192998366       -1.2802745378959202E-005
 gaminv   1.1955768020427300        876.00000000000000        26.727723613987553        26.727723613987553        26.353999999999996        26.353090101487947        1.0142159234858934        1.0142031192998366        1.2804186056758482E-005
 gaminv   1.1945767457339866        876.00000000000000        26.727386931635252        26.727386931635252        26.353999999999996        26.353090862420387        1.0142031183806455        1.0142031192998366       -9.1919116762539943E-010
 gaminv   1.1945768175263625        876.00000000000000        26.727386955803379        26.727386955803379        26.353999999999996        26.353090862365761        1.0142031192998366        1.0142031192998366        0.0000000000000000     
 Changed gamma   1.1945768175263625        1.1945768019952325     
 qinv final   2.1246014671640330        20.000000000000000        1500.0000000000000        284.26802498499097        311.19237273248950        4.0365918506460705        4.1163386927007721        8391.8282437526905        8694.7864783513523       -26.924347747498530       -27.360000000000003       0.43565225250147321     
 qinv final   2.3246014766635232        20.000000000000000        1500.0000000000000        283.36791720422178        311.16377870906490        4.0375539044432633        4.1163386927007704        8377.5334825226237        8694.3870073787493       -27.795861504843117       -27.360000000000003      -0.43586150484311403     
   2.1246014671640330        2.3246014766635232     
 qinv final   2.1246014671640330        20.000000000000000        1500.0000000000000        284.26802498499097        311.19237273248910        4.0365918506460714        4.1163386927007704        8391.8282437526886        8694.7864783513505       -26.924347747498132       -27.360000000000003       0.43565225250187112     
 qinv final   2.3246014766635232        20.000000000000000        1500.0000000000000        283.36791720422178        311.16377870906490        4.0375539044432633        4.1163386927007704        8377.5334825226237        8694.3870073787493       -27.795861504843117       -27.360000000000003      -0.43586150484311403     
 qinv final   2.2245774616959912        20.000000000000000        1500.0000000000000        283.81814163100597        311.17803689796881        4.0370717772120210        4.1163386927007704        8384.6867195276300        8694.5862027876774       -27.359895266962837       -27.360000000000003        1.0473303716551641E-004
 qinv final   2.2246014964422924        20.000000000000000        1500.0000000000000        283.81803346193448        311.17803346169734        4.0370718928249767        4.1163386927007704        8384.6850016775570        8694.5861547814657       -27.359999999762863       -27.360000000000003        2.3714008534625464E-010
 qinv final   2.2246016299188773        20.000000000000000        1500.0000000000000        283.81803286121891        311.17803344261449        4.0370718934670311        4.1163386927007712        8384.6849921374978        8694.5861545148673       -27.360000581395582       -27.360000000000003       -5.8139557879144377E-007
 Changed q   2.2246014964422924        2.2246014719137781     
 before goinv   132.00000000000000        9.9999997764825821E-003   131.00000002235174        132.99999997764826     
 Changed Go   132.00000000000000        132.00000000000000     
 Changed Gop   1.8149175213907809        1.8149175344137922     
 Changed eta   3.4017414928737417        3.4017415138832643       -27.000000000000000        1500.0000000000000        20.000000000000000     
 Looping back for species.  Differences: mgil           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        26.353999999999996        26.353999999999996     
 Gamma   1.5531129937684796E-008
 q   2.4528514330768303E-008
 eta   2.1009522566117766E-008
 Ko   6.9932869450894941E-006
 Kop   1.0052015309014450E-007
 Go   0.0000000000000000     
 Gop   1.3023011335988599E-008
mgil  26.35 210.69   5.22 932.60   1.19   2.22 132.00   1.81   3.40
 After Vo block
 Changed Ko adiab   210.69387196313002        210.69387199709294     
 Changed Kop adiabatic   5.2154038387188937        5.2154038379949732     
 gaminv   1.1935768174788650        876.00000000000000        26.727050341023229        26.727050341023229        26.353999999999996        26.353091623255569        1.0141903167610762        1.0142031192998366       -1.2802538760459115E-005
 gaminv   1.1955768175738599        876.00000000000000        26.727723619422612        26.727723619422612        26.353999999999996        26.353090101475981        1.0142159236925938        1.0142031192998366        1.2804392757193028E-005
 gaminv   1.1935768174788650        876.00000000000000        26.727050341023229        26.727050341023229        26.353999999999996        26.353091623255576        1.0141903167610760        1.0142031192998366       -1.2802538760681159E-005
 gaminv   1.1955768175738599        876.00000000000000        26.727723619422612        26.727723619422612        26.353999999999996        26.353090101475981        1.0142159236925938        1.0142031192998366        1.2804392757193028E-005
 gaminv   1.1945767451242240        876.00000000000000        26.727386931635579        26.727386931635579        26.353999999999996        26.353090862420714        1.0142031183806453        1.0142031192998366       -9.1919138967000436E-010
 gaminv   1.1945768169166171        876.00000000000000        26.727386955803713        26.727386955803713        26.353999999999996        26.353090862366077        1.0142031192998373        1.0142031192998366        6.6613381477509392E-016
 Changed gamma   1.1945768169166171        1.1945768175263625     
 qinv final   2.1246014916925473        20.000000000000000        1500.0000000000000        284.26802485870286        311.19237270622568        4.0365918508360972        4.1163386927362584        8391.8282416910970        8694.7864779469655       -26.924347847522824       -27.360000000000003       0.43565215247717859     
 qinv final   2.3246015011920376        20.000000000000000        1500.0000000000000        283.36791707833100        311.16377868286503        4.0375539046341853        4.1163386927362575        8377.5334804636241        8694.3870069752393       -27.795861604534025       -27.360000000000003      -0.43586160453402201     
   2.1246014916925473        2.3246015011920376     
 qinv final   2.1246014916925473        20.000000000000000        1500.0000000000000        284.26802485870337        311.19237270622568        4.0365918508360981        4.1163386927362575        8391.8282416911043        8694.7864779469655       -26.924347847522313       -27.360000000000003       0.43565215247769018     
 qinv final   2.3246015011920376        20.000000000000000        1500.0000000000000        283.36791707833100        311.16377868286503        4.0375539046341853        4.1163386927362584        8377.5334804636241        8694.3870069752375       -27.795861604534025       -27.360000000000003      -0.43586160453402201     
 qinv final   2.2245774633086102        20.000000000000000        1500.0000000000000        283.81814160805055        311.17803687501345        4.0370717772922609        4.1163386927362575        8384.6867191052261        8694.5862024295038       -27.359895266962894       -27.360000000000003        1.0473303710867299E-004
 qinv final   2.2246014980549100        20.000000000000000        1500.0000000000000        283.81803343897889        311.17803343874192        4.0370718929052174        4.1163386927362575        8384.6850012551458        8694.5861544232903       -27.359999999763033       -27.360000000000003        2.3696955508967221E-010
 qinv final   2.2246016315314954        20.000000000000000        1500.0000000000000        283.81803283826378        311.17803341965868        4.0370718935472718        4.1163386927362575        8384.6849917150939        8694.5861541566883       -27.360000581394900       -27.360000000000003       -5.8139489667041744E-007
 Changed q   2.2246014980549100        2.2246014964422924     
 before goinv   132.00000000000000        9.9999997764825821E-003   131.00000002235174        132.99999997764826     
 Changed Go   132.00000000000000        132.00000000000000     
 Changed Gop   1.8149175214592728        1.8149175213907809     
 Changed eta   3.4017414935578980        3.4017414928737417       -27.000000000000000        1500.0000000000000        20.000000000000000     
feil  26.85 210.69   5.22 781.36   1.19   2.22 160.83   1.81   3.44
 volinv          24   0.0000000000000000        300.00000000000000        26.844000000223517        26.844000000223520        26.853999999999996       -9.9999997764754767E-003
 volinv          24   0.0000000000000000        300.00000000000000        26.863999999776482        26.863999999776478        26.853999999999996        9.9999997764825821E-003
 volinv          24   0.0000000000000000        300.00000000000000        26.844000000223517        26.844000000223513        26.853999999999996       -9.9999997764825821E-003
 volinv          24   0.0000000000000000        300.00000000000000        26.863999999776482        26.863999999776478        26.853999999999996        9.9999997764825821E-003
 volinv          24   0.0000000000000000        300.00000000000000        26.853999999999999        26.853999999999999        26.853999999999996        3.5527136788005009E-015
 volinv          24   0.0000000000000000        300.00000000000000        26.853998388759557        26.853998388759557        26.853999999999996       -1.6112404388479717E-006
 Changed Vo   26.853999999999999        26.853999999999999     
 After Vo block
 Changed Ko intraphase   210.69387196313002        210.69387000000000     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   5.2154038387188937        5.2153999999999998               24          23          10
 Changed gamma intraphase   1.1945768169166171     
 Changed q intraphase   2.2246014980549100     
 Changed G systematics   160.83357115342292     
 Changed Gop intraphase   1.8149175214592728     
 Changed eta systematics   3.4381325172092514        3.4381300000000001       -16.887525642159357        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: feil           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        26.853999999999999        26.853999999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.5172092512626421E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   1.1534229145127028E-006
 Gop   0.0000000000000000     
feil  26.85 210.69   5.22 781.36   1.19   2.22 160.83   1.81   3.44
 volinv          24   0.0000000000000000        300.00000000000000        26.844000000223517        26.844000000223520        26.853999999999996       -9.9999997764754767E-003
 volinv          24   0.0000000000000000        300.00000000000000        26.863999999776482        26.863999999776482        26.853999999999996        9.9999997764861348E-003
 volinv          24   0.0000000000000000        300.00000000000000        26.844000000223517        26.844000000223513        26.853999999999996       -9.9999997764825821E-003
 volinv          24   0.0000000000000000        300.00000000000000        26.863999999776482        26.863999999776478        26.853999999999996        9.9999997764825821E-003
 volinv          24   0.0000000000000000        300.00000000000000        26.853999999999999        26.853999999999999        26.853999999999996        3.5527136788005009E-015
 volinv          24   0.0000000000000000        300.00000000000000        26.853998388759557        26.853998388759557        26.853999999999996       -1.6112404388479717E-006
 Changed Vo   26.853999999999999        26.853999999999999     
 After Vo block
 Changed Ko intraphase   210.69387196313002        210.69387196313002     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   5.2154038387188937        5.2154038387188937               24          23          10
 Changed gamma intraphase   1.1945768169166171     
 Changed q intraphase   2.2246014980549100     
 Changed G systematics   160.83357115342292     
 Changed Gop intraphase   1.8149175214592728     
 Changed eta systematics   3.4381325172092514        3.4381325172092514       -16.887525642159357        300.00000000000000        1000.0000000000000        0.0000000000000000     
co    25.58 252.59   3.89 932.22   1.31   1.71 163.20   1.81   2.63
 After Vo block
 Changed Ko adiab   252.58571519210489        252.58572000000001     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.71283152536190530     
 Changed Kop compress   3.8867103296963341        3.8867099999999999     
 Changed theta cal   932.21590782004341        932.21586000000002       -0.0000000000000000        180.28790856854465        180.28790217091034        6.3976343085414555E-006   0.0000000000000000        1000.0000000000000      co                                                                              
 gaminv   1.3070999999525026        2298.0000000000000        27.053026119821538        27.053026119821538        25.577000000000002        25.574115361253160        1.0578284229064301        1.0578842269685018       -5.5804062071729277E-005
 gaminv   1.3091000000474975        2298.0000000000000        27.055880860197131        27.055880860197131        25.577000000000002        25.574110950088340        1.0579402315490336        1.0578842269685018        5.6004580531787695E-005
 gaminv   1.3070999999525026        2298.0000000000000        27.053026119821538        27.053026119821538        25.577000000000002        25.574115361253160        1.0578284229064301        1.0578842269685018       -5.5804062071729277E-005
 gaminv   1.3091000000474975        2298.0000000000000        27.055880860197131        27.055880860197131        25.577000000000002        25.574110950088340        1.0579402315490336        1.0578842269685018        5.6004580531787695E-005
 gaminv   1.3080982065923983        2298.0000000000000        27.054450581607437        27.054450581607437        25.577000000000002        25.574113159625050        1.0578842133348914        1.0578842269685018       -1.3633610462804313E-008
 gaminv   1.3080984504666380        2298.0000000000000        27.054450929705919        27.054450929705919        25.577000000000002        25.574113159087162        1.0578842269685020        1.0578842269685018        2.2204460492503131E-016
 gaminv   1.3080983719802337        2298.0000000000000        27.054450817676866        27.054450817676866        25.577000000000002        25.574113159260275        1.0578842225807767        1.0578842269685018       -4.3877250721635619E-009
 Changed gamma   1.3080984504666380        1.3081000000000000     
 qinv final   1.6124499952502549        0.0000000000000000        1800.0000000000000        223.50059669364984        254.19999610938171        3.8327490872973526        3.9864331235094022        7636.3205240756306        7985.3789093656005       -30.699399415731875       -31.799999999999983        1.1006005842681077     
 qinv final   1.8124500047497452        0.0000000000000000        1800.0000000000000        221.29612611104869        254.19999610938171        3.8313151861167318        3.9864331235094022        7599.9890267254668        7985.3789093656005       -32.903869998333022       -31.799999999999983       -1.1038699983330389     
   1.6124499952502549        1.8124500047497452     
 qinv final   1.6124499952502549        0.0000000000000000        1800.0000000000000        223.50059669364984        254.19999610938189        3.8327490872973526        3.9864331235094026        7636.3205240756306        7985.3789093656032       -30.699399415732046       -31.799999999999983        1.1006005842679372     
 qinv final   1.8124500047497452        0.0000000000000000        1800.0000000000000        221.29612611104869        254.19999610938171        3.8313151861167318        3.9864331235094022        7599.9890267254668        7985.3789093656005       -32.903869998333022       -31.799999999999983       -1.1038699983330389     
 qinv final   1.7123016916376115        0.0000000000000000        1800.0000000000000        222.40162050801928        254.19999610938189        3.8320373405102650        3.9864331235094026        7618.2304793756966        7985.3789093656032       -31.798375601362608       -31.799999999999983        1.6243986373751795E-003
 qinv final   1.7124490657378819        0.0000000000000000        1800.0000000000000        222.39999612111365        254.19999610938189        3.8320362839627347        3.9864331235094030        7618.2037083625582        7985.3789093656023       -31.799999988268240       -31.799999999999983        1.1731742688425584E-008
 qinv final   1.7124491684853222        0.0000000000000000        1800.0000000000000        222.39999498860817        254.19999610938189        3.8320362832261163        3.9864331235094026        7618.2036896980562        7985.3789093656032       -31.800001120773715       -31.799999999999983       -1.1207737315999111E-006
 Changed q   1.7124490657378819        1.7124500000000000     
 before goinv   163.19999999999999        9.9999997764825821E-003   162.20000002235173        164.19999997764825     
 Changed Go   163.19999999999999        163.19999999999999     
 Changed Gop intraphase   1.8149175214592728     
 Changed eta   2.6305197280258898        2.6305200000000002       -35.500000000000000        1800.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: co             1
 Theta   4.7820043391766376E-005
 Vo   0.0000000000000000        25.577000000000002        25.577000000000002     
 Gamma   1.5495333620663132E-006
 q   9.3426211811298288E-007
 eta   2.7197411034407537E-007
 Ko   4.8078951238039735E-006
 Kop   3.2969633423363121E-007
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
co    25.58 252.59   3.89 932.22   1.31   1.71 163.20   1.81   2.63
 After Vo block
 Changed Ko adiab   252.58571908272154        252.58571519210489     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.71283152536190530     
 Changed Kop compress   3.8867102503186648        3.8867103296963341     
 Changed theta cal   932.21586135538553        932.21590782004341       -0.0000000000000000        180.28789595460714        180.28790217091034       -6.2163032055195799E-006   0.0000000000000000        1000.0000000000000      co                                                                              
 gaminv   1.3070984504191405        2298.0000000000000        27.053023781403247        27.053023781403247        25.577000000000002        25.574115364597741        1.0578283313311694        1.0578842269685018       -5.5895637332437076E-005
 gaminv   1.3090984505141354        2298.0000000000000        27.055878519042846        27.055878519042846        25.577000000000002        25.574110953432800        1.0579401398667643        1.0578842269685018        5.5912898262455712E-005
 gaminv   1.3070984504191405        2298.0000000000000        27.053023781403247        27.053023781403247        25.577000000000002        25.574115364597741        1.0578283313311694        1.0578842269685018       -5.5895637332437076E-005
 gaminv   1.3090984505141354        2298.0000000000000        27.055878519042846        27.055878519042846        25.577000000000002        25.574110953432800        1.0579401398667643        1.0578842269685018        5.5912898262455712E-005
 gaminv   1.3080982960872720        2298.0000000000000        27.054450581320921        27.054450581320921        25.577000000000002        25.574113159354557        1.0578842133348769        1.0578842269685018       -1.3633624895703633E-008
 gaminv   1.3080985399618081        2298.0000000000000        27.054450929419776        27.054450929419776        25.577000000000002        25.574113158816669        1.0578842269685023        1.0578842269685018        4.4408920985006262E-016
 gaminv   1.3080984614753985        2298.0000000000000        27.054450817390730        27.054450817390730        25.577000000000002        25.574113158989785        1.0578842225807772        1.0578842269685018       -4.3877246280743520E-009
 Changed gamma   1.3080985399618081        1.3080984504666380     
 qinv final   1.6124490609881368        0.0000000000000000        1800.0000000000000        223.50061018403841        254.20000028516819        3.8327490839881113        3.9864331235094026        7636.3207578345900        7985.3789749541875       -30.699390101129779       -31.799999999999983        1.1006098988702036     
 qinv final   1.8124490704876270        0.0000000000000000        1800.0000000000000        221.29613943967803        254.20000028516804        3.8313151827430469        3.9864331235094022        7599.9892589446144        7985.3789749541857       -32.903860845490016       -31.799999999999983       -1.1038608454900327     
   1.6124490609881368        1.8124490704876270     
 qinv final   1.6124490609881368        0.0000000000000000        1800.0000000000000        223.50061018403841        254.20000028516819        3.8327490839881113        3.9864331235094026        7636.3207578345900        7985.3789749541875       -30.699390101129779       -31.799999999999983        1.1006098988702036     
 qinv final   1.8124490704876270        0.0000000000000000        1800.0000000000000        221.29613943967803        254.20000028516804        3.8313151827430469        3.9864331235094022        7599.9892589446144        7985.3789749541857       -32.903860845490016       -31.799999999999983       -1.1038608454900327     
 qinv final   1.7123015951133542        0.0000000000000000        1800.0000000000000        222.40162468410216        254.20000028516819        3.8320373311633147        3.9864331235094026        7618.2305601913095        7985.3789749541875       -31.798375601066027       -31.799999999999983        1.6243989339557174E-003
 qinv final   1.7124489692260791        0.0000000000000000        1800.0000000000000        222.40000029690000        254.20000028516804        3.8320362746155463        3.9864331235094022        7618.2037891735690        7985.3789749541857       -31.799999988268041       -31.799999999999983        1.1731941640391597E-008
 qinv final   1.7124490719735137        0.0000000000000000        1800.0000000000000        222.39999916439442        254.20000028516804        3.8320362738789262        3.9864331235094022        7618.2037705090679        7985.3789749541857       -31.800001120773629       -31.799999999999983       -1.1207736463347828E-006
 Changed q   1.7124489692260791        1.7124490657378819     
 before goinv   163.19999999999999        9.9999997764825821E-003   162.20000002235173        164.19999997764825     
 Changed Go   163.19999999999999        163.19999999999999     
 Changed Gop intraphase   1.8149175214592728     
 Changed eta   2.6305194894500761        2.6305197280258898       -35.500000000000000        1800.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: co             2
 Theta   4.6464657884826011E-005
 Vo   0.0000000000000000        25.577000000000002        25.577000000000002     
 Gamma   8.9495170163544913E-008
 q   9.6511802771814814E-008
 eta   2.3857581377129122E-007
 Ko   3.8906166537344689E-006
 Kop   7.9377669326419209E-008
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
co    25.58 252.59   3.89 932.22   1.31   1.71 163.20   1.81   2.63
 After Vo block
 Changed Ko adiab   252.58571879755181        252.58571908272154     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.71283152536190530     
 Changed Kop compress   3.8867102561367974        3.8867102503186648     
 Changed theta cal   932.21586243344223        932.21586135538553       -0.0000000000000000        180.28790231513884        180.28790217091034        1.4422849403672444E-007   0.0000000000000000        1000.0000000000000      co                                                                              
 gaminv   1.3070985399143107        2298.0000000000000        27.053023900512940        27.053023900512940        25.577000000000002        25.574115364399777        1.0578283359967893        1.0578842269685018       -5.5890971712546644E-005
 gaminv   1.3090985400093056        2298.0000000000000        27.055878638231086        27.055878638231086        25.577000000000002        25.574110953234840        1.0579401445354573        1.0578842269685018        5.5917566955443476E-005
 gaminv   1.3070985399143107        2298.0000000000000        27.053023900512940        27.053023900512940        25.577000000000002        25.574115364399781        1.0578283359967893        1.0578842269685018       -5.5890971712546644E-005
 gaminv   1.3090985400093056        2298.0000000000000        27.055878638231086        27.055878638231086        25.577000000000002        25.574110953234840        1.0579401445354573        1.0578842269685018        5.5917566955443476E-005
 gaminv   1.3080983020976478        2298.0000000000000        27.054450581306305        27.054450581306305        25.577000000000002        25.574113159340730        1.0578842133348774        1.0578842269685018       -1.3633624451614423E-008
 gaminv   1.3080985459721792        2298.0000000000000        27.054450929405142        27.054450929405142        25.577000000000002        25.574113158802845        1.0578842269685020        1.0578842269685018        2.2204460492503131E-016
 gaminv   1.3080984674857692        2298.0000000000000        27.054450817376104        27.054450817376104        25.577000000000002        25.574113158975951        1.0578842225807774        1.0578842269685018       -4.3877244060297471E-009
 Changed gamma   1.3080985459721792        1.3080985399618081     
 qinv final   1.6124489644763340        0.0000000000000000        1800.0000000000000        223.50061081629761        254.20000001334120        3.8327490836952998        3.9864331235094022        7636.3207689274532        7985.3789706846328       -30.699389197043587       -31.799999999999983        1.1006108029563961     
 qinv final   1.8124489739758243        0.0000000000000000        1800.0000000000000        221.29614006235875        254.20000001334137        3.8313151824446079        3.9864331235094026        7599.9892699329985        7985.3789706846355       -32.903859950982621       -31.799999999999983       -1.1038599509826383     
   1.6124489644763340        1.8124489739758243     
 qinv final   1.6124489644763340        0.0000000000000000        1800.0000000000000        223.50061081629761        254.20000001334120        3.8327490836952998        3.9864331235094022        7636.3207689274532        7985.3789706846328       -30.699389197043587       -31.799999999999983        1.1006108029563961     
 qinv final   1.8124489739758243        0.0000000000000000        1800.0000000000000        221.29614006235875        254.20000001334137        3.8313151824446079        3.9864331235094026        7599.9892699329985        7985.3789706846355       -32.903859950982621       -31.799999999999983       -1.1038599509826383     
 qinv final   1.7123015801906492        0.0000000000000000        1800.0000000000000        222.40162441229839        254.20000001334120        3.8320373302827999        3.9864331235094022        7618.2305564113221        7985.3789706846328       -31.798375601042807       -31.799999999999983        1.6243989571762540E-003
 qinv final   1.7124489543044858        0.0000000000000000        1800.0000000000000        222.40000002507298        254.20000001334137        3.8320362737350080        3.9864331235094030        7618.2037853931870        7985.3789706846346       -31.799999988268382       -31.799999999999983        1.1731600579878432E-008
 qinv final   1.7124490570519195        0.0000000000000000        1800.0000000000000        222.39999889256762        254.20000001334137        3.8320362729983892        3.9864331235094026        7618.2037667286868        7985.3789706846355       -31.800001120773743       -31.799999999999983       -1.1207737600216205E-006
 Changed q   1.7124489543044858        1.7124489692260791     
 before goinv   163.19999999999999        9.9999997764825821E-003   162.20000002235173        164.19999997764825     
 Changed Go   163.19999999999999        163.19999999999999     
 Changed Gop intraphase   1.8149175214592728     
 Changed eta   2.6305194758539856        2.6305194894500761       -35.500000000000000        1800.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: co             3
 Theta   1.0780566981338779E-006
 Vo   0.0000000000000000        25.577000000000002        25.577000000000002     
 Gamma   6.0103710897152496E-009
 q   1.4921593294303648E-008
 eta   1.3596090475687106E-008
 Ko   2.8516973316072836E-007
 Kop   5.8181326423323299E-009
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
co    25.58 252.59   3.89 932.22   1.31   1.71 163.20   1.81   2.63
 After Vo block
 Changed Ko adiab   252.58571878420901        252.58571879755181     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.71283152536190530     
 Changed Kop compress   3.8867102564090228        3.8867102561367974     
 Changed theta cal   932.21586264861730        932.21586243344223       -0.0000000000000000        180.28790219969767        180.28790217091034        2.8787326300516725E-008   0.0000000000000000        1000.0000000000000      co                                                                              
 gaminv   1.3070985459246818        2298.0000000000000        27.053023907498837        27.053023907498837        25.577000000000002        25.574115364386909        1.0578283362704843        1.0578842269685018       -5.5890698017480034E-005
 gaminv   1.3090985460196767        2298.0000000000000        27.055878645217511        27.055878645217511        25.577000000000002        25.574110953221972        1.0579401448091730        1.0578842269685018        5.5917840671160235E-005
 gaminv   1.3070985459246818        2298.0000000000000        27.053023907498837        27.053023907498837        25.577000000000002        25.574115364386913        1.0578283362704843        1.0578842269685018       -5.5890698017480034E-005
 gaminv   1.3090985460196767        2298.0000000000000        27.055878645217511        27.055878645217511        25.577000000000002        25.574110953221972        1.0579401448091730        1.0578842269685018        5.5917840671160235E-005
 gaminv   1.3080983032120530        2298.0000000000000        27.054450581304113        27.054450581304113        25.577000000000002        25.574113159338658        1.0578842133348774        1.0578842269685018       -1.3633624451614423E-008
 gaminv   1.3080985470865851        2298.0000000000000        27.054450929402961        27.054450929402961        25.577000000000002        25.574113158800778        1.0578842269685023        1.0578842269685018        4.4408920985006262E-016
 gaminv   1.3080984686001751        2298.0000000000000        27.054450817373915        27.054450817373915        25.577000000000002        25.574113158973880        1.0578842225807774        1.0578842269685018       -4.3877244060297471E-009
 Changed gamma   1.3080985470865851        1.3080985459721792     
 qinv final   1.6124489495547407        0.0000000000000000        1800.0000000000000        223.50061094847715        254.20000000245122        3.8327490836495772        3.9864331235094022        7636.3207712310832        7985.3789705135860       -30.699389053974073       -31.799999999999983        1.1006109460259097     
 qinv final   1.8124489590542310        0.0000000000000000        1800.0000000000000        221.29614019274484        254.20000000245139        3.8313151823979874        3.9864331235094026        7599.9892722181667        7985.3789705135878       -32.903859809706546       -31.799999999999983       -1.1038598097065631     
   1.6124489495547407        1.8124489590542310     
 qinv final   1.6124489495547407        0.0000000000000000        1800.0000000000000        223.50061094847715        254.20000000245122        3.8327490836495772        3.9864331235094022        7636.3207712310832        7985.3789705135860       -30.699389053974073       -31.799999999999983        1.1006109460259097     
 qinv final   1.8124489590542310        0.0000000000000000        1800.0000000000000        221.29614019274484        254.20000000245139        3.8313151823979874        3.9864331235094026        7599.9892722181667        7985.3789705135878       -32.903859809706546       -31.799999999999983       -1.1038598097065631     
 qinv final   1.7123015781677637        0.0000000000000000        1800.0000000000000        222.40162440141216        254.20000000245122        3.8320373301441601        3.9864331235094022        7618.2305563626815        7985.3789705135860       -31.798375601039055       -31.799999999999983        1.6243989609279197E-003
 qinv final   1.7124489522817650        0.0000000000000000        1800.0000000000000        222.40000001418312        254.20000000245122        3.8320362735963651        3.9864331235094022        7618.2037853444863        7985.3789705135860       -31.799999988268098       -31.799999999999983        1.1731884796972736E-008
 qinv final   1.7124490550291984        0.0000000000000000        1800.0000000000000        222.39999888167770        254.20000000245139        3.8320362728597468        3.9864331235094026        7618.2037666799843        7985.3789705135878       -31.800001120773686       -31.799999999999983       -1.1207737031782017E-006
 Changed q   1.7124489522817650        1.7124489543044858     
 before goinv   163.19999999999999        9.9999997764825821E-003   162.20000002235173        164.19999997764825     
 Changed Go   163.19999999999999        163.19999999999999     
 Changed Gop intraphase   1.8149175214592728     
 Changed eta   2.6305194733766779        2.6305194758539856       -35.500000000000000        1800.0000000000000        0.0000000000000000     
hem   30.29 204.25   4.10 653.81   1.59   2.22  91.00   1.81   0.52
 After Vo block
 Changed Ko adiab   204.24533839394797        204.24533000000000     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.84204651032535538     
 Changed Kop compress   4.0996989787738256        4.0997000000000003     
 Changed theta cal   653.80764904776811        653.80768000000000       -0.0000000000000000        234.50301352419146        234.50301942848455       -5.9042930899977364E-006   0.0000000000000000        900.00000000000000      hem                                                                             
 gaminv   1.5884499999525026        1373.0000000000000        31.439826513950035        31.439826513950035        30.286999999999999        30.281616561141544        1.0382479564943290        1.0382767835317592       -2.8827037430234626E-005
 gaminv   1.5904500000474975        1373.0000000000000        31.441563212256103        31.441563212256103        30.286999999999999        30.281609789148693        1.0383055402663262        1.0382767835317592        2.8756734566925957E-005
 gaminv   1.5884499999525026        1373.0000000000000        31.439826513950035        31.439826513950035        30.286999999999999        30.281616561141540        1.0382479564943290        1.0382767835317592       -2.8827037430234626E-005
 gaminv   1.5904500000474975        1373.0000000000000        31.441563212256103        31.441563212256103        30.286999999999999        30.281609789148693        1.0383055402663262        1.0382767835317592        2.8756734566925957E-005
 gaminv   1.5894512208798453        1373.0000000000000        31.440695797538950        31.440695797538950        30.286999999999999        30.281613171008996        1.0382767793771184        1.0382767835317592       -4.1546408535708679E-009
 gaminv   1.5894513651580247        1373.0000000000000        31.440695922822819        31.440695922822819        30.286999999999999        30.281613170520469        1.0382767835311604        1.0382767835317592       -5.9885429948280944E-013
 gaminv   1.5894514605256032        1373.0000000000000        31.440696005635207        31.440696005635207        30.286999999999999        30.281613170197559        1.0382767862769737        1.0382767835317592        2.7452145001660710E-009
 Changed gamma   1.5894513651580247        1.5894500000000000     
 Changed q intraphase   2.2246014980549100     
 before goinv   91.000000000000000        9.9999997764825821E-003   90.000000022351742        91.999999977648258     
 Changed Go   91.000000000000028        91.000000000000000     
 Changed Gop intraphase   1.8149175214592728     
 Changed eta systematics  0.52408339205481291       0.52407999999999999       -9.5550003796815908        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: hem            1
 Theta   3.0952231895753357E-005
 Vo   0.0000000000000000        30.286999999999999        30.286999999999999     
 Gamma   1.3651580246243356E-006
 q   0.0000000000000000     
 eta   3.3920548129229289E-006
 Ko   8.3939479793571081E-006
 Kop   1.0212261747355456E-006
 Go   2.8421709430404007E-014
 Gop   0.0000000000000000     
hem   30.29 204.25   4.10 653.81   1.59   2.22  91.00   1.81   0.52
 After Vo block
 Changed Ko adiab   204.24533429852949        204.24533839394797     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.84204651032535538     
 Changed Kop compress   4.0996992009256426        4.0996989787738256     
 Changed theta cal   653.80768559374769        653.80764904776811       -0.0000000000000000        234.50302639981297        234.50301942848455        6.9713284176486923E-006   0.0000000000000000        900.00000000000000      hem                                                                             
 gaminv   1.5884513651105272        1373.0000000000000        31.439827806911971        31.439827806911971        30.286999999999999        30.281616556545291        1.0382479993498344        1.0382767835317592       -2.8784181924867980E-005
 gaminv   1.5904513652055221        1373.0000000000000        31.441564506258715        31.441564506258715        30.286999999999999        30.281609784552490        1.0383055831562149        1.0382767835317592        2.8799624455677630E-005
 gaminv   1.5884513651105272        1373.0000000000000        31.439827806911971        31.439827806911971        30.286999999999999        30.281616556545291        1.0382479993498344        1.0382767835317592       -2.8784181924867980E-005
 gaminv   1.5904513652055221        1373.0000000000000        31.441564506258715        31.441564506258715        30.286999999999999        30.281609784552490        1.0383055831562149        1.0382767835317592        2.8799624455677630E-005
 gaminv   1.5894510969831241        1373.0000000000000        31.440695798001322        31.440695798001322        30.286999999999999        30.281613171454712        1.0382767793771051        1.0382767835317592       -4.1546541762471634E-009
 gaminv   1.5894512412825390        1373.0000000000000        31.440695923303650        31.440695923303650        30.286999999999999        30.281613170966114        1.0382767835317592        1.0382767835317592        0.0000000000000000     
 Changed gamma   1.5894512412825390        1.5894513651580247     
 Changed q intraphase   2.2246014980549100     
 before goinv   91.000000000000028        9.9999997764825821E-003   90.000000022351770        91.999999977648287     
 Changed Go   91.000000000000000        91.000000000000028     
 Changed Gop intraphase   1.8149175214592728     
 Changed eta systematics  0.52408366372765813       0.52408339205481291       -9.5550003796815872        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: hem            2
 Theta   3.6545979583024746E-005
 Vo   0.0000000000000000        30.286999999999999        30.286999999999999     
 Gamma   1.2387548564696260E-007
 q   0.0000000000000000     
 eta   2.7167284522011670E-007
 Ko   4.0954184896691004E-006
 Kop   2.2215181694207331E-007
 Go   2.8421709430404007E-014
 Gop   0.0000000000000000     
hem   30.29 204.25   4.10 653.81   1.59   2.22  91.00   1.81   0.52
 After Vo block
 Changed Ko adiab   204.24533472534770        204.24533429852949     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.84204651032535538     
 Changed Kop compress   4.0996991777733047        4.0996992009256426     
 Changed theta cal   653.80768302305319        653.80768559374769       -0.0000000000000000        234.50301893811172        234.50301942848455       -4.9037282678909833E-007   0.0000000000000000        900.00000000000000      hem                                                                             
 gaminv   1.5884512412350416        1373.0000000000000        31.439827696397774        31.439827696397774        30.286999999999999        30.281616556966647        1.0382479956858401        1.0382767835317592       -2.8787845919087118E-005
 gaminv   1.5904512413300365        1373.0000000000000        31.441564395675808        31.441564395675808        30.286999999999999        30.281609784973849        1.0383055794899498        1.0382767835317592        2.8795958190608317E-005
 gaminv   1.5884512412350416        1373.0000000000000        31.439827696397774        31.439827696397774        30.286999999999999        30.281616556966654        1.0382479956858399        1.0382767835317592       -2.8787845919309163E-005
 gaminv   1.5904512413300365        1373.0000000000000        31.441564395675808        31.441564395675808        30.286999999999999        30.281609784973849        1.0383055794899498        1.0382767835317592        2.8795958190608317E-005
 gaminv   1.5894511004048772        1373.0000000000000        31.440695797991289        31.440695797991289        30.286999999999999        30.281613171445027        1.0382767793771057        1.0382767835317592       -4.1546535101133486E-009
 gaminv   1.5894512447042692        1373.0000000000000        31.440695923293596        31.440695923293596        30.286999999999999        30.281613170956444        1.0382767835317588        1.0382767835317592       -4.4408920985006262E-016
 gaminv   1.5894513400718404        1373.0000000000000        31.440696006105984        31.440696006105984        30.286999999999999        30.281613170633520        1.0382767862775726        1.0382767835317592        2.7458133544655539E-009
 Changed gamma   1.5894512447042692        1.5894512412825390     
 Changed q intraphase   2.2246014980549100     
 before goinv   91.000000000000000        9.9999997764825821E-003   90.000000022351742        91.999999977648258     
 Changed Go   91.000000000000000        91.000000000000000     
 Changed Gop intraphase   1.8149175214592728     
 Changed eta systematics  0.52408365578610949       0.52408366372765813       -9.5550003796815872        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: hem            3
 Theta   2.5706945052661467E-006
 Vo   0.0000000000000000        30.286999999999999        30.286999999999999     
 Gamma   3.4217302324890397E-009
 q   0.0000000000000000     
 eta   7.9415486409217806E-009
 Ko   4.2681821810219844E-007
 Kop   2.3152337824683400E-008
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
hem   30.29 204.25   4.10 653.81   1.59   2.22  91.00   1.81   0.52
 After Vo block
 Changed Ko adiab   204.24533471100375        204.24533472534770     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.84204651032535538     
 Changed Kop compress   4.0996991785513588        4.0996991777733047     
 Changed theta cal   653.80768306347431        653.80768302305319       -0.0000000000000000        234.50301943619507        234.50301942848455        7.7105255513743032E-009   0.0000000000000000        900.00000000000000      hem                                                                             
 gaminv   1.5884512446567718        1373.0000000000000        31.439827699476407        31.439827699476407        30.286999999999999        30.281616556954834        1.0382479957879120        1.0382767835317592       -2.8787743847180636E-005
 gaminv   1.5904512447517667        1373.0000000000000        31.441564398756388        31.441564398756388        30.286999999999999        30.281609784962033        1.0383055795920861        1.0382767835317592        2.8796060326907735E-005
 gaminv   1.5884512446567718        1373.0000000000000        31.439827699476407        31.439827699476407        30.286999999999999        30.281616556954823        1.0382479957879123        1.0382767835317592       -2.8787743846958591E-005
 gaminv   1.5904512447517667        1373.0000000000000        31.441564398756388        31.441564398756388        30.286999999999999        30.281609784962033        1.0383055795920861        1.0382767835317592        2.8796060326907735E-005
 gaminv   1.5894511002803211        1373.0000000000000        31.440695797991481        31.440695797991481        30.286999999999999        30.281613171445226        1.0382767793771053        1.0382767835317592       -4.1546539542025585E-009
 gaminv   1.5894512445797286        1373.0000000000000        31.440695923293806        31.440695923293806        30.286999999999999        30.281613170956629        1.0382767835317592        1.0382767835317592        0.0000000000000000     
 Changed gamma   1.5894512445797286        1.5894512447042692     
 Changed q intraphase   2.2246014980549100     
 before goinv   91.000000000000000        9.9999997764825821E-003   90.000000022351742        91.999999977648258     
 Changed Go   91.000000000000028        91.000000000000000     
 Changed Gop intraphase   1.8149175214592728     
 Changed eta systematics  0.52408365604141927       0.52408365578610949       -9.5550003796815908        300.00000000000000        1000.0000000000000        0.0000000000000000     
py   113.08 170.24   4.11 823.24   1.01   1.42  93.70   1.36   0.98
 After Vo block
 Changed Ko adiab   170.23964891861289        170.23964000000001     
 Changed Kop adiabatic   4.1106720710704714        4.1106699999999998     
 Changed theta cal   823.23769776300765        823.23783000000003       -0.0000000000000000        779.13949366815530        779.13957380156353       -8.0133408232541115E-005   0.0000000000000000        1000.0000000000000      py                                                                              
 gaminv   1.0132199999525024        1454.0000000000000        116.58938220534665        116.58938220534665        113.08000000000000        113.04712457280533        1.0313343452646602        1.0313689330075047       -3.4587742844482960E-005
 gaminv   1.0152200000474974        1454.0000000000000        116.59709907539404        116.59709907539404        113.08000000000000        113.04705976203878        1.0314031989936581        1.0313689330075047        3.4265986153414474E-005
 gaminv   1.0132199999525024        1454.0000000000000        116.58938220534665        116.58938220534665        113.08000000000000        113.04712457280533        1.0313343452646602        1.0313689330075047       -3.4587742844482960E-005
 gaminv   1.0152200000474974        1454.0000000000000        116.59709907539404        116.59709907539404        113.08000000000000        113.04705976203878        1.0314031989936581        1.0313689330075047        3.4265986153414474E-005
 gaminv   1.0142246730469218        1454.0000000000000        116.59325818877524        116.59325818877524        113.08000000000000        113.04709201594338        1.0313689287322112        1.0313689330075047       -4.2752934525935871E-009
 gaminv   1.0142247972162404        1454.0000000000000        116.59325866787503        116.59325866787503        113.08000000000000        113.04709201191962        1.0313689330069766        1.0313689330075047       -5.2802207051172445E-013
 gaminv   1.0142248580702260        1454.0000000000000        116.59325890267644        116.59325890267644        113.08000000000000        113.04709200994763        1.0313689351019906        1.0313689330075047        2.0944859180360709E-009
 Changed gamma   1.0142247972162404        1.0142199999999999     
 qinv final   1.3216899952502548        0.0000000000000000        800.00000000000000        164.40430102846881        171.20000918480284        3.5229195949941676        3.5649982313406432        6831.3293186142637        6929.8244417792894       -6.7957081563340296       -7.0000000000000009       0.20429184366597131     
 qinv final   1.5216900047497450        0.0000000000000000        800.00000000000000        163.99570244145352        171.20000918480284        3.5228156976288827        3.5649982313406432        6822.9356022393767        6929.8244417792894       -7.2043067433493206       -7.0000000000000009      -0.20430674334931975     
   1.3216899952502548        1.5216900047497450     
 qinv final   1.3216899952502548        0.0000000000000000        800.00000000000000        164.40430102846881        171.20000918480298        3.5229195949941676        3.5649982313406441        6831.3293186142637        6929.8244417792921       -6.7957081563341717       -7.0000000000000009       0.20429184366582920     
 qinv final   1.5216900047497450        0.0000000000000000        800.00000000000000        163.99570244145352        171.20000918480284        3.5228156976288827        3.5649982313406432        6822.9356022393767        6929.8244417792894       -7.2043067433493206       -7.0000000000000009      -0.20430674334931975     
 qinv final   1.4216863534665385        0.0000000000000000        800.00000000000000        164.20002481741764        171.20000918480298        3.5228677158696780        3.5649982313406441        6827.1342247490356        6929.8244417792921       -6.9999843673853377       -7.0000000000000009        1.5632614663196875E-005
 qinv final   1.4216940052872160        0.0000000000000000        800.00000000000000        164.20000918480491        171.20000918480284        3.5228677118946652        3.5649982313406432        6827.1339036131067        6929.8244417792894       -6.9999999999979252       -7.0000000000000009        2.0756729668391927E-012
 qinv final   1.4216940905893534        0.0000000000000000        800.00000000000000        164.20000901053331        171.20000918480284        3.5228677118503517        3.5649982313406432        6827.1339000330991        6929.8244417792894       -7.0000001742695304       -7.0000000000000009       -1.7426952947374730E-007
 Changed q   1.4216940052872160        1.4216899999999999     
 before goinv   93.700000000000003        9.9999997764825821E-003   92.700000022351745        94.699999977648261     
 Changed Go   93.700000000000003        93.700000000000003     
 Changed Gop   1.3575576723680740        1.3575600000000001     
 Changed eta  0.98185698244725861       0.98185999999999996       -4.5999999999999996        800.00000000000000        0.0000000000000000     
 Looping back for species.  Differences: py             1
 Theta   1.3223699238551490E-004
 Vo   0.0000000000000000        113.08000000000000        113.08000000000000     
 Gamma   4.7972162404708030E-006
 q   4.0052872161133735E-006
 eta   3.0175527413467407E-006
 Ko   8.9186128775509133E-006
 Kop   2.0710704715654060E-006
 Go   0.0000000000000000     
 Gop   2.3276319260912004E-006
py   113.08 170.24   4.11 823.24   1.01   1.42  93.70   1.36   0.98
 After Vo block
 Changed Ko adiab   170.23963973380813        170.23964891861289     
 Changed Kop adiabatic   4.1106722082753491        4.1106720710704714     
 Changed theta cal   823.23783519425047        823.23769776300765       -0.0000000000000000        779.13965708260048        779.13957380156353        8.3281036950211274E-005   0.0000000000000000        1000.0000000000000      py                                                                              
 gaminv   1.0132247971687429        1454.0000000000000        116.58940133074468        116.58940133074468        113.08000000000000        113.04712441933833        1.0313345158455034        1.0313689330075047       -3.4417162001254553E-005
 gaminv   1.0152247972637378        1454.0000000000000        116.59711821277591        116.59711821277591        113.08000000000000        113.04705960857667        1.0314033696806555        1.0313689330075047        3.4436673150839425E-005
 gaminv   1.0132247971687429        1454.0000000000000        116.58940133074468        116.58940133074468        113.08000000000000        113.04712441933833        1.0313345158455034        1.0313689330075047       -3.4417162001254553E-005
 gaminv   1.0152247972637378        1454.0000000000000        116.59711821277591        116.59711821277591        113.08000000000000        113.04705960857667        1.0314033696806555        1.0313689330075047        3.4436673150839425E-005
 gaminv   1.0142245138456705        1454.0000000000000        116.59325819613690        116.59325819613690        113.08000000000000        113.04709202309340        1.0313689287320995        1.0313689330075047       -4.2754051410298644E-009
 gaminv   1.0142246380335447        1454.0000000000000        116.59325867530846        116.59325867530846        113.08000000000000        113.04709201906907        1.0313689330075047        1.0313689330075047        0.0000000000000000     
 Changed gamma   1.0142246380335447        1.0142247972162404     
 qinv final   1.3216940005374709        0.0000000000000000        800.00000000000000        164.40428403822057        171.19999959466907        3.5229195991244593        3.5649982313406441        6831.3289616202192        6929.8242476848363       -6.7957155564484992       -7.0000000000000009       0.20428444355150166     
 qinv final   1.5216940100369611        0.0000000000000000        800.00000000000000        163.99568553377011        171.19999959466895        3.5228157017801358        3.5649982313406432        6822.9352465026850        6929.8242476848345       -7.2043140608988381       -7.0000000000000009      -0.20431406089883719     
   1.3216940005374709        1.5216940100369611     
 qinv final   1.3216940005374709        0.0000000000000000        800.00000000000000        164.40428403822057        171.19999959466895        3.5229195991244593        3.5649982313406432        6831.3289616202192        6929.8242476848345       -6.7957155564483855       -7.0000000000000009       0.20428444355161535     
 qinv final   1.5216940100369611        0.0000000000000000        800.00000000000000        163.99568553377011        171.19999959466895        3.5228157017801358        3.5649982313406432        6822.9352465026850        6929.8242476848345       -7.2043140608988381       -7.0000000000000009      -0.20431406089883719     
 qinv final   1.4216867567661602        0.0000000000000000        800.00000000000000        164.20001522727634        171.19999959466895        3.5228677218816089        3.5649982313406432        6827.1340195534340        6929.8242476848345       -6.9999843673926136       -7.0000000000000009        1.5632607387239261E-005
 qinv final   1.4216944085848646        0.0000000000000000        800.00000000000000        164.19999959467089        171.19999959466895        3.5228677179065988        3.5649982313406432        6827.1336984176442        6929.8242476848345       -6.9999999999980673       -7.0000000000000009        1.9335644196871726E-012
 qinv final   1.4216944938870262        0.0000000000000000        800.00000000000000        164.19999942039919        171.19999959466907        3.5228677178622854        3.5649982313406441        6827.1336948376347        6929.8242476848363       -7.0000001742698714       -7.0000000000000009       -1.7426987053426046E-007
 Changed q   1.4216944085848646        1.4216940052872160     
 before goinv   93.700000000000003        9.9999997764825821E-003   92.700000022351745        94.699999977648261     
 Changed Go   93.700000000000003        93.700000000000003     
 Changed Gop   1.3575576885764460        1.3575576723680740     
 Changed eta  0.98185729205457650       0.98185698244725861       -4.5999999999999996        800.00000000000000        0.0000000000000000     
 Looping back for species.  Differences: py             2
 Theta   1.3743124281972996E-004
 Vo   0.0000000000000000        113.08000000000000        113.08000000000000     
 Gamma   1.5918269569148435E-007
 q   4.0329764861013473E-007
 eta   3.0960731789431151E-007
 Ko   9.1848047532039345E-006
 Kop   1.3720487768154044E-007
 Go   0.0000000000000000     
 Gop   1.6208371977910474E-008
py   113.08 170.24   4.11 823.24   1.01   1.42  93.70   1.36   0.98
 After Vo block
 Changed Ko adiab   170.23964013913726        170.23963973380813     
 Changed Kop adiabatic   4.1106722072167177        4.1106722082753491     
 Changed theta cal   823.23783461309108        823.23783519425047       -0.0000000000000000        779.13957344939070        779.13957380156353       -3.5217283311794745E-007   0.0000000000000000        1000.0000000000000      py                                                                              
 gaminv   1.0132246379860472        1454.0000000000000        116.58940075669433        116.58940075669433        113.08000000000000        113.04712442456302        1.0313345107198644        1.0313689330075047       -3.4422287640278881E-005
 gaminv   1.0152246380810421        1454.0000000000000        116.59711763863429        116.59711763863429        113.08000000000000        113.04705961380148        1.0314033645542020        1.0313689330075047        3.4431546697355486E-005
 gaminv   1.0132246379860472        1454.0000000000000        116.58940075669433        116.58940075669433        113.08000000000000        113.04712442456299        1.0313345107198646        1.0313689330075047       -3.4422287640056837E-005
 gaminv   1.0152246380810421        1454.0000000000000        116.59711763863429        116.59711763863429        113.08000000000000        113.04705961380148        1.0314033645542020        1.0313689330075047        3.4431546697355486E-005
 gaminv   1.0142245035594397        1454.0000000000000        116.59325819654903        116.59325819654903        113.08000000000000        113.04709202349308        1.0313689287320986        1.0313689330075047       -4.2754060292082841E-009
 gaminv   1.0142246277473366        1454.0000000000000        116.59325867572062        116.59325867572062        113.08000000000000        113.04709201946875        1.0313689330075042        1.0313689330075047       -4.4408920985006262E-016
 gaminv   1.0142246886013120        1454.0000000000000        116.59325891052211        116.59325891052211        113.08000000000000        113.04709201749677        1.0313689351025190        1.0313689330075047        2.0950143841957924E-009
 Changed gamma   1.0142246277473366        1.0142246380335447     
 qinv final   1.3216944038351195        0.0000000000000000        800.00000000000000        164.40428365205017        171.19999998095764        3.5229195994506290        3.5649982313406441        6831.3289532809013        6929.8242555029201       -6.7957163289074742       -7.0000000000000009       0.20428367109252665     
 qinv final   1.5216944133346098        0.0000000000000000        800.00000000000000        163.99568515181954        171.19999998095753        3.5228157021079638        3.5649982313406432        6822.9352382398156        6929.8242555029183       -7.2043148291379850       -7.0000000000000009      -0.20431482913798416     
   1.3216944038351195        1.5216944133346098     
 qinv final   1.3216944038351195        0.0000000000000000        800.00000000000000        164.40428365205017        171.19999998095764        3.5229195994506290        3.5649982313406441        6831.3289532809013        6929.8242555029201       -6.7957163289074742       -7.0000000000000009       0.20428367109252665     
 qinv final   1.5216944133346098        0.0000000000000000        800.00000000000000        163.99568515181954        171.19999998095753        3.5228157021079638        3.5649982313406432        6822.9352382398156        6929.8242555029183       -7.2043148291379850       -7.0000000000000009      -0.20431482913798416     
 qinv final   1.4216867829947266        0.0000000000000000        800.00000000000000        164.20001561356460        171.19999998095764        3.5228677224044893        3.5649982313406441        6827.1340270773526        6929.8242555029201       -6.9999843673930400       -7.0000000000000009        1.5632606960913620E-005
 qinv final   1.4216944348133058        0.0000000000000000        800.00000000000000        164.19999998095940        171.19999998095753        3.5228677184294783        3.5649982313406432        6827.1337059415700        6929.8242555029183       -6.9999999999981242       -7.0000000000000009        1.8767210008263646E-012
 qinv final   1.4216945201154689        0.0000000000000000        800.00000000000000        164.19999980668774        171.19999998095753        3.5228677183851649        3.5649982313406432        6827.1337023615615        6929.8242555029183       -7.0000001742697862       -7.0000000000000009       -1.7426978526913217E-007
 Changed q   1.4216944348133058        1.4216944085848646     
 before goinv   93.700000000000003        9.9999997764825821E-003   92.700000022351745        94.699999977648261     
 Changed Go   93.700000000000003        93.700000000000003     
 Changed Gop   1.3575576878773188        1.3575576885764460     
 Changed eta  0.98185730735061505       0.98185729205457650       -4.5999999999999996        800.00000000000000        0.0000000000000000     
al   115.43 173.90   4.91 741.38   1.06   1.42  96.00   1.41   2.09
 volinv          28   0.0000000000000000        300.00000000000000        115.42000000022352        115.42000000022351        115.43000000000002       -9.9999997765110038E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43999999977649        115.43999999977648        115.43000000000002        9.9999997764541604E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.42000000022352        115.42000000022351        115.43000000000002       -9.9999997765110038E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43999999977649        115.43999999977648        115.43000000000002        9.9999997764541604E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43000000000004        115.43000000000005        115.43000000000002        2.8421709430404007E-014
 volinv          28   0.0000000000000000        300.00000000000000        115.42999307419979        115.42999307419980        115.43000000000002       -6.9258002213246073E-006
 Changed Vo   115.43000000000004        115.43000000000001     
 After Vo block
 Changed Ko adiab   173.89637658842690        173.89636999999999     
 Changed Kop adiabatic   4.9134103955908293        4.9134099999999998     
 Changed theta cal   741.38220528892214        741.38226999999995       -0.0000000000000000        870.77548094856343        870.77552449196901       -4.3543405581658590E-005   0.0000000000000000        1000.0000000000000      al                                                                              
 gaminv   1.0639299999525025        1372.0000000000000        118.83554125157868        118.83554125157868        115.43000000000004        115.43000000000004        1.0295030862997370        1.0295342496815658       -3.1163381828847037E-005
 gaminv   1.0659300000474974        1372.0000000000000        118.84271947743588        118.84271947743588        115.43000000000004        115.43000000000004        1.0295652731303460        1.0295342496815658        3.1023448780143070E-005
 gaminv   1.0639299999525025        1372.0000000000000        118.83554125157868        118.83554125157868        115.43000000000004        115.43000000000004        1.0295030862997370        1.0295342496815658       -3.1163381828847037E-005
 gaminv   1.0659300000474974        1372.0000000000000        118.84271947743588        118.84271947743588        115.43000000000004        115.43000000000004        1.0295652731303460        1.0295342496815658        3.1023448780143070E-005
 gaminv   1.0649322502040057        1372.0000000000000        118.83913799011644        118.83913799011644        115.43000000000004        115.43000000000004        1.0295342457776697        1.0295342496815658       -3.9038960952808566E-009
 gaminv   1.0649323757420031        1372.0000000000000        118.83913844068672        118.83913844068672        115.43000000000004        115.43000000000004        1.0295342496810767        1.0295342496815658       -4.8916426464984397E-013
 gaminv   1.0649324396384434        1372.0000000000000        118.83913867001839        118.83913867001839        115.43000000000004        115.43000000000005        1.0295342516678363        1.0295342496815658        1.9862704814244125E-009
 Changed gamma   1.0649323757420031        1.0649299999999999     
 Changed q intraphase   1.4216944348133058     
 before goinv   96.000000000000000        9.9999997764825821E-003   95.000000022351742        96.999999977648258     
 Changed Go   96.000000000000000        96.000000000000000     
 Changed Gop   1.4092663913727315        1.4092700000000000     
 Changed eta systematics   2.0928936416676884        2.0928900000000001       -10.080000400543213        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: al             1
 Theta   6.4711077811807627E-005
 Vo   2.8421709430404007E-014   115.43000000000004        115.43000000000001     
 Gamma   2.3757420031245147E-006
 q   0.0000000000000000     
 eta   3.6416676882922161E-006
 Ko   6.5884269133675843E-006
 Kop   3.9559082942730583E-007
 Go   0.0000000000000000     
 Gop   3.6086272685587062E-006
al   115.43 173.90   4.91 741.38   1.06   1.42  96.00   1.41   2.09
 volinv          28   0.0000000000000000        300.00000000000000        115.42000000022355        115.42000000022357        115.43000000000002       -9.9999997764541604E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43999999977652        115.43999999977652        115.43000000000002        9.9999997764967929E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.42000000022355        115.42000000022354        115.43000000000002       -9.9999997764825821E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43999999977652        115.43999999977652        115.43000000000002        9.9999997764967929E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43000000000004        115.43000000000004        115.43000000000002        1.4210854715202004E-014
 volinv          28   0.0000000000000000        300.00000000000000        115.42999307419979        115.42999307419980        115.43000000000002       -6.9258002213246073E-006
 Changed Vo   115.43000000000004        115.43000000000004     
 After Vo block
 Changed Ko adiab   173.89637161229871        173.89637658842690     
 Changed Kop adiabatic   4.9134105039451228        4.9134103955908293     
 Changed theta cal   741.38227084245818        741.38220528892214       -0.0000000000000000        870.77556860225593        870.77552449196901        4.4110286921750230E-005   0.0000000000000000        1000.0000000000000      al                                                                              
 gaminv   1.0639323756945056        1372.0000000000000        118.83555035503190        118.83555035503190        115.43000000000004        115.43000000000002        1.0295031651653113        1.0295342496815658       -3.1084516254553662E-005
 gaminv   1.0659323757895005        1372.0000000000000        118.84272858772488        118.84272858772488        115.43000000000004        115.43000000000004        1.0295653520551402        1.0295342496815658        3.1102373574398712E-005
 gaminv   1.0639323756945056        1372.0000000000000        118.83555035503190        118.83555035503190        115.43000000000004        115.43000000000005        1.0295031651653110        1.0295342496815658       -3.1084516254775707E-005
 gaminv   1.0659323757895005        1372.0000000000000        118.84272858772488        118.84272858772488        115.43000000000004        115.43000000000004        1.0295653520551402        1.0295342496815658        3.1102373574398712E-005
 gaminv   1.0649320885862936        1372.0000000000000        118.83913799011272        118.83913799011272        115.43000000000004        115.43000000000005        1.0295342457776373        1.0295342496815658       -3.9039285137931756E-009
 gaminv   1.0649322141410225        1372.0000000000000        118.83913844074321        118.83913844074321        115.43000000000004        115.43000000000004        1.0295342496815660        1.0295342496815658        2.2204460492503131E-016
 Changed gamma   1.0649322141410225        1.0649323757420031     
 Changed q intraphase   1.4216944348133058     
 before goinv   96.000000000000000        9.9999997764825821E-003   95.000000022351742        96.999999977648258     
 Changed Go   96.000000000000000        96.000000000000000     
 Changed Gop   1.4092663976764428        1.4092663913727315     
 Changed eta systematics   2.0928939453354869        2.0928936416676884       -10.080000400543213        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: al             2
 Theta   6.5553536046536465E-005
 Vo   0.0000000000000000        115.43000000000004        115.43000000000004     
 Gamma   1.6160098059714301E-007
 q   0.0000000000000000     
 eta   3.0366779846247027E-007
 Ko   4.9761281957216852E-006
 Kop   1.0835429353761583E-007
 Go   0.0000000000000000     
 Gop   6.3037113307018444E-009
al   115.43 173.90   4.91 741.38   1.06   1.42  96.00   1.41   2.09
 volinv          28   0.0000000000000000        300.00000000000000        115.42000000022355        115.42000000022354        115.43000000000002       -9.9999997764825821E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43999999977652        115.43999999977650        115.43000000000002        9.9999997764825821E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.42000000022355        115.42000000022354        115.43000000000002       -9.9999997764825821E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43999999977652        115.43999999977650        115.43000000000002        9.9999997764825821E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43000000000004        115.43000000000002        115.43000000000002        0.0000000000000000     
 Changed Vo   115.43000000000004        115.43000000000004     
 After Vo block
 Changed Ko adiab   173.89637199991881        173.89637161229871     
 Changed Kop adiabatic   4.9134104993798209        4.9134105039451228     
 Changed theta cal   741.38226788941506        741.38227084245818       -0.0000000000000000        870.77552250489737        870.77552449196901       -1.9870716414516210E-006   0.0000000000000000        1000.0000000000000      al                                                                              
 gaminv   1.0639322140935250        1372.0000000000000        118.83554976816934        118.83554976816934        115.43000000000004        115.43000000000004        1.0295031600811688        1.0295342496815658       -3.1089600396994044E-005
 gaminv   1.0659322141885199        1372.0000000000000        118.84272800055354        118.84272800055354        115.43000000000004        115.43000000000004        1.0295653469683228        1.0295342496815658        3.1097286756986975E-005
 gaminv   1.0639322140935250        1372.0000000000000        118.83554976816933        118.83554976816933        115.43000000000004        115.43000000000002        1.0295031600811688        1.0295342496815658       -3.1089600396994044E-005
 gaminv   1.0659322141885199        1372.0000000000000        118.84272800055354        118.84272800055354        115.43000000000004        115.43000000000002        1.0295653469683228        1.0295342496815658        3.1097286756986975E-005
 gaminv   1.0649320905400399        1372.0000000000000        118.83913799011270        118.83913799011270        115.43000000000004        115.43000000000002        1.0295342457776373        1.0295342496815658       -3.9039285137931756E-009
 gaminv   1.0649322160947690        1372.0000000000000        118.83913844074318        118.83913844074318        115.43000000000004        115.43000000000004        1.0295342496815658        1.0295342496815658        0.0000000000000000     
 Changed gamma   1.0649322160947690        1.0649322141410225     
 Changed q intraphase   1.4216944348133058     
 before goinv   96.000000000000000        9.9999997764825821E-003   95.000000022351742        96.999999977648258     
 Changed Go   96.000000000000000        96.000000000000000     
 Changed Gop   1.4092663972097967        1.4092663976764428     
 Changed eta systematics   2.0928939405429396        2.0928939453354869       -10.080000400543213        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: al             3
 Theta   2.9530431220337050E-006
 Vo   0.0000000000000000        115.43000000000004        115.43000000000004     
 Gamma   1.9537464979180186E-009
 q   0.0000000000000000     
 eta   4.7925472479448672E-009
 Ko   3.8762010490245302E-007
 Kop   4.5653019142832818E-009
 Go   0.0000000000000000     
 Gop   4.6664605513058177E-010
al   115.43 173.90   4.91 741.38   1.06   1.42  96.00   1.41   2.09
 volinv          28   0.0000000000000000        300.00000000000000        115.42000000022355        115.42000000022354        115.43000000000002       -9.9999997764825821E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43999999977652        115.43999999977650        115.43000000000002        9.9999997764825821E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.42000000022355        115.42000000022354        115.43000000000002       -9.9999997764825821E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43999999977652        115.43999999977650        115.43000000000002        9.9999997764825821E-003
 volinv          28   0.0000000000000000        300.00000000000000        115.43000000000004        115.43000000000002        115.43000000000002        0.0000000000000000     
 Changed Vo   115.43000000000004        115.43000000000004     
 After Vo block
 Changed Ko adiab   173.89637199349650        173.89637199991881     
 Changed Kop adiabatic   4.9134104994407730        4.9134104993798209     
 Changed theta cal   741.38226787619612        741.38226788941506       -0.0000000000000000        870.77552448307415        870.77552449196901       -8.8948581833392382E-009   0.0000000000000000        1000.0000000000000      al                                                                              
 gaminv   1.0639322160472715        1372.0000000000000        118.83554977533109        118.83554977533109        115.43000000000004        115.43000000000005        1.0295031601432127        1.0295342496815658       -3.1089538353068491E-005
 gaminv   1.0659322161422664        1372.0000000000000        118.84272800771916        118.84272800771916        115.43000000000004        115.43000000000002        1.0295653470304005        1.0295342496815658        3.1097348834663308E-005
 gaminv   1.0639322160472715        1372.0000000000000        118.83554977533109        118.83554977533109        115.43000000000004        115.43000000000002        1.0295031601432130        1.0295342496815658       -3.1089538352846446E-005
 gaminv   1.0659322161422664        1372.0000000000000        118.84272800771916        118.84272800771916        115.43000000000004        115.43000000000002        1.0295653470304005        1.0295342496815658        3.1097348834663308E-005
 gaminv   1.0649320904978379        1372.0000000000000        118.83913799011269        118.83913799011269        115.43000000000004        115.43000000000002        1.0295342457776373        1.0295342496815658       -3.9039285137931756E-009
 gaminv   1.0649322160525669        1372.0000000000000        118.83913844074316        118.83913844074316        115.43000000000004        115.43000000000002        1.0295342496815658        1.0295342496815658        0.0000000000000000     
 Changed gamma   1.0649322160525669        1.0649322160947690     
 Changed q intraphase   1.4216944348133058     
 before goinv   96.000000000000000        9.9999997764825821E-003   95.000000022351742        96.999999977648258     
 Changed Go   96.000000000000028        96.000000000000000     
 Changed Gop   1.4092663972174309        1.4092663972097967     
 Changed eta systematics   2.0928939405891223        2.0928939405429396       -10.080000400543216        300.00000000000000        1000.0000000000000        0.0000000000000000     
gr   125.12 167.06   3.92 822.77   1.05   1.89 109.00   1.16   2.38
 After Vo block
 Changed Ko adiab   167.06226070958564        167.06226000000001     
 Changed Kop adiabatic   3.9154391553350170        3.9154399999999998     
 Changed theta cal   822.77061200392086        822.77062000000001       -0.0000000000000000        779.43783549048214        779.43784033872362       -4.8482414740647073E-006   0.0000000000000000        1000.0000000000000      gr                                                                              
 gaminv   1.0530199999525025        1462.0000000000000        128.89749502911931        128.89749502911931        125.12000000000000        125.12000000000000        1.0301909768951352        1.0302232779216716       -3.2301026536396549E-005
 gaminv   1.0550200000474974        1462.0000000000000        128.90557837745393        128.90557837745393        125.12000000000000        125.12000000000002        1.0302555816612364        1.0302232779216716        3.2303739564865097E-005
 gaminv   1.0530199999525025        1462.0000000000000        128.89749502911931        128.89749502911931        125.12000000000000        125.12000000000002        1.0301909768951349        1.0302232779216716       -3.2301026536618593E-005
 gaminv   1.0550200000474974        1462.0000000000000        128.90557837745393        128.90557837745393        125.12000000000000        125.12000000000002        1.0302555816612364        1.0302232779216716        3.2303739564865097E-005
 gaminv   1.0540199580057550        1462.0000000000000        128.90153598237850        128.90153598237850        125.12000000000000        125.12000000000002        1.0302232735164520        1.0302232779216716       -4.4052195224963953E-009
 gaminv   1.0540200943802094        1462.0000000000000        128.90153653355958        128.90153653355958        125.12000000000000        125.12000000000000        1.0302232779216718        1.0302232779216716        2.2204460492503131E-016
 gaminv   1.0540200311385060        1462.0000000000000        128.90153627795726        128.90153627795726        125.12000000000000        125.12000000000000        1.0302232758788143        1.0302232779216716       -2.0428572167219272E-009
 Changed gamma   1.0540200943802094        1.0540200000000000     
 qinv final   1.7888599952502549        0.0000000000000000        1300.0000000000000        153.22942393611095        168.00000017383306        3.5113679694442994        3.6001358695652179        6605.9139598498550        6831.1716059019273       -14.770576237722111       -15.200000000000017       0.42942376227790646     
 qinv final   1.9888600047497451        0.0000000000000000        1300.0000000000000        152.37020436299147        168.00000017383306        3.5108859832458061        3.6001358695652179        6587.8190550703030        6831.1716059019273       -15.629795810841586       -15.200000000000017      -0.42979581084156848     
   1.7888599952502549        1.9888600047497451     
 qinv final   1.7888599952502549        0.0000000000000000        1300.0000000000000        153.22942393611095        168.00000017383297        3.5113679694442994        3.6001358695652170        6605.9139598498550        6831.1716059019263       -14.770576237722025       -15.200000000000017       0.42942376227799173     
 qinv final   1.9888600047497451        0.0000000000000000        1300.0000000000000        152.37020436299147        168.00000017383306        3.5108859832458061        3.6001358695652179        6587.8190550703030        6831.1716059019273       -15.629795810841586       -15.200000000000017      -0.42979581084156848     
 qinv final   1.8888166992427911        0.0000000000000000        1300.0000000000000        152.80017921393869        168.00000017383297        3.5111278127233083        3.6001358695652170        6596.8804274330678        6831.1716059019263       -15.199820959894282       -15.200000000000017        1.7904010573488449E-004
 qinv final   1.8888583743199316        0.0000000000000000        1300.0000000000000        152.80000017407568        168.00000017383297        3.5111277122904343        3.6001358695652170        6596.8766569145710        6831.1716059019263       -15.199999999757296       -15.200000000000017        2.4272139853565022E-010
 qinv final   1.8888584876519301        0.0000000000000000        1300.0000000000000        152.79999968719122        168.00000017383309        3.5111277120173150        3.6001358695652175        6596.8766466609468        6831.1716059019282       -15.200000486641869       -15.200000000000017       -4.8664185214875033E-007
 Changed q   1.8888583743199316        1.8888600000000000     
 before goinv   109.00000000000000        9.9999997764825821E-003   108.00000002235174        109.99999997764826     
 Changed Go   109.00000000000000        109.00000000000000     
 Changed Gop   1.1627387243997300        1.1627400000000001     
 Changed eta   2.3841466634951298        2.3841500000000000       -13.500000000000000        1300.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: gr             1
 Theta   7.9960791481425986E-006
 Vo   0.0000000000000000        125.12000000000000        125.12000000000000     
 Gamma   9.4380209425537487E-008
 q   1.6256800683400741E-006
 eta   3.3365048701661237E-006
 Ko   7.0958563469503133E-007
 Kop   8.4466498284641034E-007
 Go   0.0000000000000000     
 Gop   1.2756002700786695E-006
gr   125.12 167.06   3.92 822.77   1.05   1.89 109.00   1.16   2.38
 After Vo block
 Changed Ko adiab   167.06226053575074        167.06226070958564     
 Changed Kop adiabatic   3.9154391451714883        3.9154391553350170     
 Changed theta cal   822.77061382690124        822.77061200392086       -0.0000000000000000        779.43784144404651        779.43784033872362        1.1053228945456794E-006   0.0000000000000000        1000.0000000000000      gr                                                                              
 gaminv   1.0530200943327119        1462.0000000000000        128.89749520635650        128.89749520635650        125.12000000000000        125.11999999999999        1.0301909783116729        1.0302232779216716       -3.2299609998620582E-005
 gaminv   1.0550200944277068        1462.0000000000000        128.90557855392416        128.90557855392416        125.12000000000000        125.11999999999999        1.0302555830716447        1.0302232779216716        3.2305149973099745E-005
 gaminv   1.0530200943327119        1462.0000000000000        128.89749520635650        128.89749520635650        125.12000000000000        125.12000000000002        1.0301909783116725        1.0302232779216716       -3.2299609999064671E-005
 gaminv   1.0550200944277068        1462.0000000000000        128.90557855392416        128.90557855392416        125.12000000000000        125.11999999999999        1.0302555830716447        1.0302232779216716        3.2305149973099745E-005
 gaminv   1.0540200086284117        1462.0000000000000        128.90153598237896        128.90153598237896        125.12000000000000        125.12000000000002        1.0302232735164558        1.0302232779216716       -4.4052157477381115E-009
 gaminv   1.0540201450027638        1462.0000000000000        128.90153653355955        128.90153653355955        125.12000000000000        125.11999999999999        1.0302232779216718        1.0302232779216716        2.2204460492503131E-016
 gaminv   1.0540200817610572        1462.0000000000000        128.90153627795721        128.90153627795721        125.12000000000000        125.11999999999999        1.0302232758788141        1.0302232779216716       -2.0428574387665321E-009
 Changed gamma   1.0540201450027638        1.0540200943802094     
 qinv final   1.7888583695701865        0.0000000000000000        1300.0000000000000        153.22943030876499        168.00000008872900        3.5113679687038166        3.6001358695652175        6605.9140979129679        6831.1716041716882       -14.770569779964006       -15.200000000000017       0.42943022003601072     
 qinv final   1.9888583790696768        0.0000000000000000        1300.0000000000000        152.37021069718350        168.00000008872902        3.5108859824978933        3.6001358695652179        6587.8191927033267        6831.1716041716882       -15.629789391545529       -15.200000000000017      -0.42978939154551199     
   1.7888583695701865        1.9888583790696768     
 qinv final   1.7888583695701865        0.0000000000000000        1300.0000000000000        153.22943030876499        168.00000008872900        3.5113679687038166        3.6001358695652175        6605.9140979129679        6831.1716041716882       -14.770569779964006       -15.200000000000017       0.42943022003601072     
 qinv final   1.9888583790696768        0.0000000000000000        1300.0000000000000        152.37021069718350        168.00000008872902        3.5108859824978933        3.6001358695652179        6587.8191927033267        6831.1716041716882       -15.629789391545529       -15.200000000000017      -0.42978939154551199     
 qinv final   1.8888165722565571        0.0000000000000000        1300.0000000000000        152.80017912885219        168.00000008872900        3.5111278083674256        3.6001358695652175        6596.8804296883618        6831.1716041716882       -15.199820959876803       -15.200000000000017        1.7904012321423579E-004
 qinv final   1.8888582473353803        0.0000000000000000        1300.0000000000000        152.80000008897156        168.00000008872902        3.5111277079345360        3.6001358695652179        6596.8766591694948        6831.1716041716882       -15.199999999757466       -15.200000000000017        2.4255086827906780E-010
 qinv final   1.8888583606673712        0.0000000000000000        1300.0000000000000        152.79999960208721        168.00000008872900        3.5111277076614176        3.6001358695652175        6596.8766489158725        6831.1716041716882       -15.200000486641784       -15.200000000000017       -4.8664176688362204E-007
 Changed q   1.8888582473353803        1.8888583743199316     
 before goinv   109.00000000000000        9.9999997764825821E-003   108.00000002235174        109.99999997764826     
 Changed Go   109.00000000000000        109.00000000000000     
 Changed Gop   1.1627387246903096        1.1627387243997300     
 Changed eta   2.3841465903725085        2.3841466634951298       -13.500000000000000        1300.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: gr             2
 Theta   1.8229803799840738E-006
 Vo   0.0000000000000000        125.12000000000000        125.12000000000000     
 Gamma   5.0622554370605144E-008
 q   1.2698455131854303E-007
 eta   7.3122621291332734E-008
 Ko   1.7383490558131598E-007
 Kop   1.0163528685325218E-008
 Go   0.0000000000000000     
 Gop   2.9057956041356192E-010
gr   125.12 167.06   3.92 822.77   1.05   1.89 109.00   1.16   2.38
 After Vo block
 Changed Ko adiab   167.06226044701992        167.06226053575074     
 Changed Kop adiabatic   3.9154391456827797        3.9154391451714883     
 Changed theta cal   822.77061525800809        822.77061382690124       -0.0000000000000000        779.43784120644284        779.43784033872362        8.6771922269690549E-007   0.0000000000000000        1000.0000000000000      gr                                                                              
 gaminv   1.0530201449552663        1462.0000000000000        128.89749539609241        128.89749539609241        125.12000000000000        125.12000000000000        1.0301909798281044        1.0302232779216716       -3.2298093567195707E-005
 gaminv   1.0550201450502612        1462.0000000000000        128.90557874369867        128.90557874369867        125.12000000000000        125.11999999999999        1.0302555845883845        1.0302232779216716        3.2306666712944576E-005
 gaminv   1.0530201449552663        1462.0000000000000        128.89749539609241        128.89749539609241        125.12000000000000        125.12000000000000        1.0301909798281044        1.0302232779216716       -3.2298093567195707E-005
 gaminv   1.0550201450502612        1462.0000000000000        128.90557874369867        128.90557874369867        125.12000000000000        125.11999999999999        1.0302555845883845        1.0302232779216716        3.2306666712944576E-005
 gaminv   1.0540200123013015        1462.0000000000000        128.90153598237890        128.90153598237890        125.12000000000000        125.12000000000000        1.0302232735164554        1.0302232779216716       -4.4052161918273214E-009
 gaminv   1.0540201486756684        1462.0000000000000        128.90153653355958        128.90153653355958        125.12000000000000        125.12000000000000        1.0302232779216718        1.0302232779216716        2.2204460492503131E-016
 gaminv   1.0540200854339616        1462.0000000000000        128.90153627795723        128.90153627795723        125.12000000000000        125.11999999999999        1.0302232758788143        1.0302232779216716       -2.0428572167219272E-009
 Changed gamma   1.0540201486756684        1.0540201450027638     
 qinv final   1.7888582425856352        0.0000000000000000        1300.0000000000000        153.22943073101962        168.00000000547786        3.5113679686488521        3.6001358695652175        6605.9141070666346        6831.1716024791203       -14.770569274458239       -15.200000000000017       0.42943072554177775     
 qinv final   1.9888582520851255        0.0000000000000000        1300.0000000000000        152.37021111684851        168.00000000547786        3.5108859824423759        3.6001358695652175        6587.8192018276504        6831.1716024791203       -15.629788888629349       -15.200000000000017      -0.42978888862933218     
   1.7888582425856352        1.9888582520851255     
 qinv final   1.7888582425856352        0.0000000000000000        1300.0000000000000        153.22943073101962        168.00000000547786        3.5113679686488521        3.6001358695652175        6605.9141070666346        6831.1716024791203       -14.770569274458239       -15.200000000000017       0.42943072554177775     
 qinv final   1.9888582520851255        0.0000000000000000        1300.0000000000000        152.37021111684851        168.00000000547786        3.5108859824423759        3.6001358695652175        6587.8192018276504        6831.1716024791203       -15.629788888629349       -15.200000000000017      -0.42978888862933218     
 qinv final   1.8888165626370030        0.0000000000000000        1300.0000000000000        152.80017904560248        168.00000000547786        3.5111278080293489        3.6001358695652175        6596.8804282088795        6831.1716024791203       -15.199820959875382       -15.200000000000017        1.7904012463532126E-004
 qinv final   1.8888582377159906        0.0000000000000000        1300.0000000000000        152.80000000572031        168.00000000547774        3.5111277075964575        3.6001358695652170        6596.8766576899789        6831.1716024791185       -15.199999999757438       -15.200000000000017        2.4257928998849820E-010
 qinv final   1.8888583510479808        0.0000000000000000        1300.0000000000000        152.79999951883585        168.00000000547786        3.5111277073233387        3.6001358695652179        6596.8766474363556        6831.1716024791203       -15.200000486642011       -15.200000000000017       -4.8664199425729748E-007
 Changed q   1.8888582377159906        1.8888582473353803     
 before goinv   109.00000000000000        9.9999997764825821E-003   108.00000002235174        109.99999997764826     
 Changed Go   109.00000000000000        109.00000000000000     
 Changed Gop   1.1627387248222589        1.1627387246903096     
 Changed eta   2.3841465857464588        2.3841465903725085       -13.500000000000000        1300.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: gr             3
 Theta   1.4311068525785231E-006
 Vo   0.0000000000000000        125.12000000000000        125.12000000000000     
 Gamma   3.6729046470895810E-009
 q   9.6193897292096153E-009
 eta   4.6260497654770916E-009
 Ko   8.8730814695736626E-008
 Kop   5.1129145361983319E-010
 Go   0.0000000000000000     
 Gop   1.3194934034288508E-010
gr   125.12 167.06   3.92 822.77   1.05   1.89 109.00   1.16   2.38
 After Vo block
 Changed Ko adiab   167.06226044154025        167.06226044701992     
 Changed Kop adiabatic   3.9154391457082731        3.9154391456827797     
 Changed theta cal   822.77061539839394        822.77061525800809       -0.0000000000000000        779.43784042384334        779.43784033872362        8.5119722825766075E-008   0.0000000000000000        1000.0000000000000      gr                                                                              
 gaminv   1.0530201486281709        1462.0000000000000        128.89749540975808        128.89749540975808        125.12000000000000        125.12000000000000        1.0301909799373248        1.0302232779216716       -3.2297984346785213E-005
 gaminv   1.0550201487231659        1462.0000000000000        128.90557875736678        128.90557875736678        125.12000000000000        125.12000000000002        1.0302555846976245        1.0302232779216716        3.2306775952894995E-005
 gaminv   1.0530201486281709        1462.0000000000000        128.89749540975808        128.89749540975808        125.12000000000000        125.12000000000000        1.0301909799373248        1.0302232779216716       -3.2297984346785213E-005
 gaminv   1.0550201487231659        1462.0000000000000        128.90557875736678        128.90557875736678        125.12000000000000        125.12000000000002        1.0302555846976245        1.0302232779216716        3.2306775952894995E-005
 gaminv   1.0540200125927159        1462.0000000000000        128.90153598237896        128.90153598237896        125.12000000000000        125.12000000000000        1.0302232735164558        1.0302232779216716       -4.4052157477381115E-009
 gaminv   1.0540201489670693        1462.0000000000000        128.90153653355952        128.90153653355952        125.12000000000000        125.12000000000000        1.0302232779216713        1.0302232779216716       -2.2204460492503131E-016
 gaminv   1.0540202122087761        1462.0000000000000        128.90153678916190        128.90153678916190        125.12000000000000        125.11999999999999        1.0302232799645292        1.0302232779216716        2.0428576608111371E-009
 Changed gamma   1.0540201489670693        1.0540201486756684     
 qinv final   1.7888582329662455        0.0000000000000000        1300.0000000000000        153.22943076424670        168.00000000041317        3.5113679686447532        3.6001358695652179        6605.9141077867216        6831.1716023761501       -14.770569236166466       -15.200000000000017       0.42943076383355105     
 qinv final   1.9888582424657357        0.0000000000000000        1300.0000000000000        152.37021114987260        168.00000000041317        3.5108859824382352        3.6001358695652175        6587.8192025454427        6831.1716023761510       -15.629788850540564       -15.200000000000017      -0.42978885054054672     
   1.7888582329662455        1.9888582424657357     
 qinv final   1.7888582329662455        0.0000000000000000        1300.0000000000000        153.22943076424670        168.00000000041317        3.5113679686447532        3.6001358695652175        6605.9141077867216        6831.1716023761510       -14.770569236166466       -15.200000000000017       0.42943076383355105     
 qinv final   1.9888582424657357        0.0000000000000000        1300.0000000000000        152.37021114987260        168.00000000041317        3.5108859824382352        3.6001358695652175        6587.8192025454427        6831.1716023761510       -15.629788850540564       -15.200000000000017      -0.42978885054054672     
 qinv final   1.8888165619071504        0.0000000000000000        1300.0000000000000        152.80017904053790        168.00000000041317        3.5111278080038058        3.6001358695652175        6596.8804281235480        6831.1716023761510       -15.199820959875268       -15.200000000000017        1.7904012474900810E-004
 qinv final   1.8888582369861515        0.0000000000000000        1300.0000000000000        152.80000000065579        168.00000000041317        3.5111277075709153        3.6001358695652179        6596.8766576046482        6831.1716023761501       -15.199999999757381       -15.200000000000017        2.4263613340735901E-010
 qinv final   1.8888583503181418        0.0000000000000000        1300.0000000000000        152.79999951377118        168.00000000041317        3.5111277072977951        3.6001358695652175        6596.8766473510223        6831.1716023761510       -15.200000486641983       -15.200000000000017       -4.8664196583558805E-007
 Changed q   1.8888582369861515        1.8888582377159906     
 before goinv   109.00000000000000        9.9999997764825821E-003   108.00000002235174        109.99999997764826     
 Changed Go   109.00000000000000        109.00000000000000     
 Changed Gop   1.1627387248304235        1.1627387248222589     
 Changed eta   2.3841465854006878        2.3841465857464588       -13.500000000000000        1300.0000000000000        0.0000000000000000     
mgmj 114.32 165.12   4.21 822.49   0.98   1.54  85.00   1.43   1.02
 After Vo block
 Changed Ko adiab   165.11835999716826        165.11837000000000     
 Changed Kop adiabatic   4.2118280249111590        4.2118300000000000     
 Changed theta cal   822.48571183869478        822.48562000000004       -0.0000000000000000        779.13962950516827        779.13957380156353        5.5703604743939650E-005   0.0000000000000000        1000.0000000000000      mgmj                                                                            
 gaminv  0.97580999995250250        1163.0000000000000        116.82107166518887        116.82107166518887        114.32400000000000        114.30750785624221        1.0219894900701345        1.0220138054925376       -2.4315422403109466E-005
 gaminv  0.97781000004749741        1163.0000000000000        116.82661431878964        116.82661431878964        114.32400000000000        114.30747407594083        1.0220382810766617        1.0220138054925376        2.4475584124106220E-005
 gaminv  0.97580999995250250        1163.0000000000000        116.82107166518887        116.82107166518887        114.32400000000000        114.30750785624221        1.0219894900701345        1.0220138054925376       -2.4315422403109466E-005
 gaminv  0.97781000004749741        1163.0000000000000        116.82661431878964        116.82661431878964        114.32400000000000        114.30747407594083        1.0220382810766617        1.0220138054925376        2.4475584124106220E-005
 gaminv  0.97680671739240477        1163.0000000000000        116.82383363579325        116.82383363579325        114.32400000000000        114.30749102152255        1.0220138032230706        1.0220138054925376       -2.2694670587242172E-009
 gaminv  0.97680681042055617        1163.0000000000000        116.82383389360449        116.82383389360449        114.32400000000000        114.30749101995131        1.0220138054925374        1.0220138054925376       -2.2204460492503131E-016
 gaminv  0.97680686902946268        1163.0000000000000        116.82383405602880        116.82383405602880        114.32400000000000        114.30749101896139        1.0220138069223303        1.0220138054925376        1.4297927286577305E-009
 Changed gamma  0.97680681042055617       0.97680999999999996     
 qinv final   1.4358099952502548        0.0000000000000000        800.00000000000000        159.04447334706674        165.99999417868554        3.4716877302421030        3.5124733214373181        6768.4459303943240        6874.6013539321475       -6.9555208316187986       -7.1499999999999995       0.19447916838120083     
 qinv final   1.6358100047497450        0.0000000000000000        800.00000000000000        158.65548499139976        165.99999417868568        3.4715888153849699        3.5124733214373185        6760.2600932679188        6874.6013539321502       -7.3445091872859223       -7.1499999999999995      -0.19450918728592281     
   1.4358099952502548        1.6358100047497450     
 qinv final   1.4358099952502548        0.0000000000000000        800.00000000000000        159.04447334706688        165.99999417868568        3.4716877302421034        3.5124733214373185        6768.4459303943268        6874.6013539321502       -6.9555208316187986       -7.1499999999999995       0.19447916838120083     
 qinv final   1.6358100047497450        0.0000000000000000        800.00000000000000        158.65548499139976        165.99999417868568        3.4715888153849699        3.5124733214373185        6760.2600932679188        6874.6013539321502       -7.3445091872859223       -7.1499999999999995      -0.19450918728592281     
 qinv final   1.5358022828265394        0.0000000000000000        800.00000000000000        158.85000835033145        165.99999417868568        3.4716383397730626        3.5124733214373185        6764.3548644733355        6874.6013539321502       -7.1499858283542324       -7.1499999999999995        1.4171645767113716E-005
 qinv final   1.5358095692383142        0.0000000000000000        800.00000000000000        158.84999417868744        165.99999417868568        3.4716383361693981        3.5124733214373185        6764.3545662465658        6874.6013539321502       -7.1499999999982435       -7.1499999999999995        1.7559287357471476E-012
 qinv final   1.5358096613873851        0.0000000000000000        800.00000000000000        158.84999399946292        165.99999417868568        3.4716383361238234        3.5124733214373189        6764.3545624749822        6874.6013539321502       -7.1500001792227579       -7.1499999999999995       -1.7922275841186774E-007
 Changed q   1.5358095692383142        1.5358099999999999     
 before goinv   85.000000000000000        9.9999997764825821E-003   84.000000022351742        85.999999977648258     
 Changed Go   85.000000000000028        85.000000000000000     
 Changed Gop   1.4296903456658265        1.4296899999999999     
 Changed eta   1.0177912248422478        1.0177900000000000       -4.6500000000000004        800.00000000000000        0.0000000000000000     
 Looping back for species.  Differences: mgmj           1
 Theta   9.1838694743273663E-005
 Vo   0.0000000000000000        114.32400000000000        114.32400000000000     
 Gamma   3.1895794437852842E-006
 q   4.3076168565470141E-007
 eta   1.2248422478489118E-006
 Ko   1.0002831743349816E-005
 Kop   1.9750888409220124E-006
 Go   2.8421709430404007E-014
 Gop   3.4566582662876044E-007
mgmj 114.32 165.12   4.21 822.49   0.98   1.54  85.00   1.43   1.02
 After Vo block
 Changed Ko adiab   165.11836581848104        165.11835999716826     
 Changed Kop adiabatic   4.2118279391612310        4.2118280249111590     
 Changed theta cal   822.48562284729621        822.48571183869478       -0.0000000000000000        779.13951982495053        779.13957380156353       -5.3976613003214879E-005   0.0000000000000000        1000.0000000000000      mgmj                                                                            
 gaminv  0.97580681037305872        1163.0000000000000        116.82106275269534        116.82106275269534        114.32400000000000        114.30750790951403        1.0219894116243968        1.0220138054925376       -2.4393868140792918E-005
 gaminv  0.97780681046805362        1163.0000000000000        116.82660540273854        116.82660540273854        114.32400000000000        114.30747412921123        1.0220382025997681        1.0220138054925376        2.4397107230456072E-005
 gaminv  0.97580681037305872        1163.0000000000000        116.82106275269534        116.82106275269534        114.32400000000000        114.30750790951403        1.0219894116243968        1.0220138054925376       -2.4393868140792918E-005
 gaminv  0.97780681046805362        1163.0000000000000        116.82660540273854        116.82660540273854        114.32400000000000        114.30747412921123        1.0220382025997681        1.0220138054925376        2.4397107230456072E-005
 gaminv  0.97680674403348777        1163.0000000000000        116.82383363471632        116.82383363471632        114.32400000000000        114.30749102047122        1.0220138032230490        1.0220138054925376       -2.2694885970508949E-009
 gaminv  0.97680683706252580        1163.0000000000000        116.82383389253000        116.82383389253000        114.32400000000000        114.30749101889995        1.0220138054925376        1.0220138054925376        0.0000000000000000     
 Changed gamma  0.97680683706252580       0.97680681042055617     
 qinv final   1.4358095644885691        0.0000000000000000        800.00000000000000        159.04447995063418        166.00000010979716        3.4716877296938380        3.5124733214373181        6768.4460714425823        6874.6014767454890       -6.9555201591629725       -7.1499999999999995       0.19447984083702696     
 qinv final   1.6358095739880594        0.0000000000000000        800.00000000000000        158.65549157414824        166.00000010979730        3.4715888148340475        3.5124733214373189        6760.2602340487429        6874.6014767454908       -7.3445085356490551       -7.1499999999999995      -0.19450853564905568     
   1.4358095644885691        1.6358095739880594     
 qinv final   1.4358095644885691        0.0000000000000000        800.00000000000000        159.04447995063418        166.00000010979730        3.4716877296938380        3.5124733214373185        6768.4460714425823        6874.6014767454917       -6.9555201591631146       -7.1499999999999995       0.19447984083688485     
 qinv final   1.6358095739880594        0.0000000000000000        800.00000000000000        158.65549157414824        166.00000010979730        3.4715888148340475        3.5124733214373189        6760.2602340487429        6874.6014767454908       -7.3445085356490551       -7.1499999999999995      -0.19450853564905568     
 qinv final   1.5358021924591434        0.0000000000000000        800.00000000000000        158.85001428144403        166.00000010979730        3.4716383390551218        3.5124733214373185        6764.3549914558980        6874.6014767454917       -7.1499858283532660       -7.1499999999999995        1.4171646733451837E-005
 qinv final   1.5358094788710215        0.0000000000000000        800.00000000000000        158.85000010979894        166.00000010979730        3.4716383354514568        3.5124733214373189        6764.3546932291101        6874.6014767454908       -7.1499999999983572       -7.1499999999999995        1.6422418980255316E-012
 qinv final   1.5358095710200870        0.0000000000000000        800.00000000000000        158.84999993057423        166.00000010979730        3.4716383354058813        3.5124733214373189        6764.3546894575238        6874.6014767454908       -7.1500001792230705       -7.1499999999999995       -1.7922307105067148E-007
 Changed q   1.5358094788710215        1.5358095692383142     
 before goinv   85.000000000000028        9.9999997764825821E-003   84.000000022351770        85.999999977648287     
 Changed Go   85.000000000000000        85.000000000000028     
 Changed Gop   1.4296903379162829        1.4296903456658265     
 Changed eta   1.0177911287176602        1.0177912248422478       -4.6500000000000004        800.00000000000000        0.0000000000000000     
 Looping back for species.  Differences: mgmj           2
 Theta   8.8991398570215097E-005
 Vo   0.0000000000000000        114.32400000000000        114.32400000000000     
 Gamma   2.6641969630425422E-008
 q   9.0367292759907514E-008
 eta   9.6124587622981039E-008
 Ko   5.8213127829276345E-006
 Kop   8.5749928047107460E-008
 Go   2.8421709430404007E-014
 Gop   7.7495436734409395E-009
mgmj 114.32 165.12   4.21 822.49   0.98   1.54  85.00   1.43   1.02
 After Vo block
 Changed Ko adiab   165.11836570868215        165.11836581848104     
 Changed Kop adiabatic   4.2118279394932889        4.2118279391612310     
 Changed theta cal   822.48562104078519        822.48562284729621       -0.0000000000000000        779.13957270584694        779.13957380156353       -1.0957165841318783E-006   0.0000000000000000        1000.0000000000000      mgmj                                                                            
 gaminv  0.97580683701502835        1163.0000000000000        116.82106282397432        116.82106282397432        114.32400000000000        114.30750790902891        1.0219894122523063        1.0220138054925376       -2.4393240231290747E-005
 gaminv  0.97780683711002325        1163.0000000000000        116.82660547402632        116.82660547402632        114.32400000000000        114.30747412872603        1.0220382032277557        1.0220138054925376        2.4397735218117944E-005
 gaminv  0.97580683701502835        1163.0000000000000        116.82106282397432        116.82106282397432        114.32400000000000        114.30750790902887        1.0219894122523068        1.0220138054925376       -2.4393240230846658E-005
 gaminv  0.97780683711002325        1163.0000000000000        116.82660547402632        116.82660547402632        114.32400000000000        114.30747412872603        1.0220382032277557        1.0220138054925376        2.4397735218117944E-005
 gaminv  0.97680674493508945        1163.0000000000000        116.82383363466472        116.82383363466472        114.32400000000000        114.30749102042081        1.0220138032230484        1.0220138054925376       -2.2694892631847097E-009
 gaminv  0.97680683796415513        1163.0000000000000        116.82383389247853        116.82383389247853        114.32400000000000        114.30749101884955        1.0220138054925381        1.0220138054925376        4.4408920985006262E-016
 Changed gamma  0.97680683796415513       0.97680683706252580     
 qinv final   1.4358094741212764        0.0000000000000000        800.00000000000000        159.04448001005454        166.00000000287858        3.4716877296490458        3.5124733214373185        6768.4460727506203        6874.6014745315642       -6.9555199928240370       -7.1499999999999995       0.19448000717596248     
 qinv final   1.6358094836207666        0.0000000000000000        800.00000000000000        158.65549163300344        166.00000000287858        3.4715888147890386        3.5124733214373185        6760.2602353464654        6874.6014745315642       -7.3445083698751432       -7.1499999999999995      -0.19450836987514375     
   1.4358094741212764        1.6358094836207666     
 qinv final   1.4358094741212764        0.0000000000000000        800.00000000000000        159.04448001005454        166.00000000287858        3.4716877296490454        3.5124733214373189        6768.4460727506203        6874.6014745315642       -6.9555199928240370       -7.1499999999999995       0.19448000717596248     
 qinv final   1.6358094836207666        0.0000000000000000        800.00000000000000        158.65549163300344        166.00000000287858        3.4715888147890381        3.5124733214373189        6760.2602353464663        6874.6014745315642       -7.3445083698751432       -7.1499999999999995      -0.19450836987514375     
 qinv final   1.5358021874705063        0.0000000000000000        800.00000000000000        158.85001417452554        166.00000000287858        3.4716383389679955        3.5124733214373189        6764.3549892643086        6874.6014745315642       -7.1499858283530386       -7.1499999999999995        1.4171646960825512E-005
 qinv final   1.5358094738824897        0.0000000000000000        800.00000000000000        158.85000000288008        166.00000000287858        3.4716383353643301        3.5124733214373189        6764.3546910375144        6874.6014745315642       -7.1499999999984993       -7.1499999999999995        1.5001333508735115E-012
 qinv final   1.5358095660315547        0.0000000000000000        800.00000000000000        158.84999982365565        166.00000000287858        3.4716383353187559        3.5124733214373185        6764.3546872659308        6874.6014745315642       -7.1500001792229284       -7.1499999999999995       -1.7922292894212433E-007
 Changed q   1.5358094738824897        1.5358094788710215     
 before goinv   85.000000000000000        9.9999997764825821E-003   84.000000022351742        85.999999977648258     
 Changed Go   85.000000000000028        85.000000000000000     
 Changed Gop   1.4296903380522556        1.4296903379162829     
 Changed eta   1.0177911258822139        1.0177911287176602       -4.6500000000000004        800.00000000000000        0.0000000000000000     
 Looping back for species.  Differences: mgmj           3
 Theta   1.8065110225506942E-006
 Vo   0.0000000000000000        114.32400000000000        114.32400000000000     
 Gamma   9.0162932675497132E-010
 q   4.9885318098574771E-009
 eta   2.8354463221802462E-009
 Ko   1.0979888998008391E-007
 Kop   3.3205793670276762E-010
 Go   2.8421709430404007E-014
 Gop   1.3597278858412665E-010
mgmj 114.32 165.12   4.21 822.49   0.98   1.54  85.00   1.43   1.02
 After Vo block
 Changed Ko adiab   165.11836570580192        165.11836570868215     
 Changed Kop adiabatic   4.2118279394845040        4.2118279394932889     
 Changed theta cal   822.48562101331106        822.48562104078519       -0.0000000000000000        779.13957378489943        779.13957380156353       -1.6664102986396756E-008   0.0000000000000000        1000.0000000000000      mgmj                                                                            
 gaminv  0.97580683791665768        1163.0000000000000        116.82106282624079        116.82106282624079        114.32400000000000        114.30750790901300        1.0219894122722766        1.0220138054925376       -2.4393220261043069E-005
 gaminv  0.97780683801165258        1163.0000000000000        116.82660547629247        116.82660547629247        114.32400000000000        114.30747412871014        1.0220382032477229        1.0220138054925376        2.4397755185256997E-005
 gaminv  0.97580683791665768        1163.0000000000000        116.82106282624079        116.82106282624079        114.32400000000000        114.30750790901298        1.0219894122722766        1.0220138054925376       -2.4393220261043069E-005
 gaminv  0.97780683801165258        1163.0000000000000        116.82660547629247        116.82660547629247        114.32400000000000        114.30747412871014        1.0220382032477229        1.0220138054925376        2.4397755185256997E-005
 gaminv  0.97680674501818743        1163.0000000000000        116.82383363466266        116.82383363466266        114.32400000000000        114.30749102041875        1.0220138032230488        1.0220138054925376       -2.2694888190954998E-009
 gaminv  0.97680683804723489        1163.0000000000000        116.82383389247637        116.82383389247637        114.32400000000000        114.30749101884750        1.0220138054925374        1.0220138054925376       -2.2204460492503131E-016
 gaminv  0.97680689665614306        1163.0000000000000        116.82383405490067        116.82383405490067        114.32400000000000        114.30749101785756        1.0220138069223303        1.0220138054925376        1.4297927286577305E-009
 Changed gamma  0.97680683804723489       0.97680683796415513     
 qinv final   1.4358094691327445        0.0000000000000000        800.00000000000000        159.04448001655138        166.00000000016740        3.4716877296468565        3.5124733214373185        6768.4460728909971        6874.6014744754257       -6.9555199836160284       -7.1499999999999995       0.19448001638397105     
 qinv final   1.6358094786322348        0.0000000000000000        800.00000000000000        158.65549163946378        166.00000000016740        3.4715888147868394        3.5124733214373189        6760.2602354862438        6874.6014744754257       -7.3445083607036281       -7.1499999999999995      -0.19450836070362865     
   1.4358094691327445        1.6358094786322348     
 qinv final   1.4358094691327445        0.0000000000000000        800.00000000000000        159.04448001655138        166.00000000016740        3.4716877296468565        3.5124733214373189        6768.4460728909971        6874.6014744754257       -6.9555199836160284       -7.1499999999999995       0.19448001638397105     
 qinv final   1.6358094786322348        0.0000000000000000        800.00000000000000        158.65549163946378        166.00000000016740        3.4715888147868394        3.5124733214373189        6760.2602354862438        6874.6014744754257       -7.3445083607036281       -7.1499999999999995      -0.19450836070362865     
 qinv final   1.5358021872069298        0.0000000000000000        800.00000000000000        158.85001417181408        166.00000000016740        3.4716383389634640        3.5124733214373189        6764.3549892109913        6874.6014744754257       -7.1499858283533229       -7.1499999999999995        1.4171646676608418E-005
 qinv final   1.5358094736187664        0.0000000000000000        800.00000000000000        158.85000000016908        166.00000000016740        3.4716383353597990        3.5124733214373189        6764.3546909842080        6874.6014744754257       -7.1499999999983288       -7.1499999999999995        1.6706636074559356E-012
 qinv final   1.5358095657678315        0.0000000000000000        800.00000000000000        158.84999982094439        166.00000000016740        3.4716383353142244        3.5124733214373189        6764.3546872126190        6874.6014744754257       -7.1500001792230137       -7.1499999999999995       -1.7922301420725262E-007
 Changed q   1.5358094736187664        1.5358094738824897     
 before goinv   85.000000000000028        9.9999997764825821E-003   84.000000022351770        85.999999977648287     
 Changed Go   85.000000000000028        85.000000000000028     
 Changed Gop   1.4296903380556787        1.4296903380522556     
 Changed eta   1.0177911257325372        1.0177911258822139       -4.6500000000000004        800.00000000000000        0.0000000000000000     
namj 110.84 172.04   5.20 844.74   1.25   0.11 114.70   1.36   2.48
 volinv          31   0.0000000000000000        300.00000000000000        110.83200000022352        110.83200000022350        110.84200000000001       -9.9999997765110038E-003
 volinv          31   0.0000000000000000        300.00000000000000        110.85199999977648        110.85199999977647        110.84200000000001        9.9999997764541604E-003
 volinv          31   0.0000000000000000        300.00000000000000        110.83200000022352        110.83200000022352        110.84200000000001       -9.9999997764967929E-003
 volinv          31   0.0000000000000000        300.00000000000000        110.85199999977648        110.85199999977647        110.84200000000001        9.9999997764541604E-003
 volinv          31   0.0000000000000000        300.00000000000000        110.84200000000001        110.84200000000000        110.84200000000001       -1.4210854715202004E-014
 volinv          31   0.0000000000000000        300.00000000000000        110.84200665052028        110.84200665052028        110.84200000000001        6.6505202624966842E-006
 Changed Vo   110.84200000000001        110.84200000000000     
 After Vo block
 Changed Ko adiab   172.03515294092557        172.03514999999999     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.90914184104363360     
 Changed Kop compress   5.2004942526645035        5.2004999999999999     
 gaminv   1.2497799999525026        1673.0000000000000        116.01937433506814        116.01937433506814        110.84200000000001        110.84200000000000        1.0467094994232162        1.0467511695165126       -4.1670093296364286E-005
 gaminv   1.2517800000474975        1673.0000000000000        116.02858119832015        116.02858119832015        110.84200000000001        110.84200000000000        1.0467925623709438        1.0467511695165126        4.1392854431165915E-005
 gaminv   1.2497799999525026        1673.0000000000000        116.01937433506814        116.01937433506814        110.84200000000001        110.84200000000001        1.0467094994232162        1.0467511695165126       -4.1670093296364286E-005
 gaminv   1.2517800000474975        1673.0000000000000        116.02858119832015        116.02858119832015        110.84200000000001        110.84200000000000        1.0467925623709438        1.0467511695165126        4.1392854431165915E-005
 gaminv   1.2507833376961202        1673.0000000000000        116.02399279430907        116.02399279430907        110.84200000000001        110.84200000000001        1.0467511664739815        1.0467511695165126       -3.0425311159376633E-009
 gaminv   1.2507834127436177        1673.0000000000000        116.02399313978526        116.02399313978526        110.84200000000001        110.84200000000001        1.0467511695908163        1.0467511695165126        7.4303674324482927E-011
 Changed gamma   1.2507834127436177        1.2507800000000000     
 qinv final   9.1599952502548626E-003   0.0000000000000000        1673.0000000000000        152.59014752094839        173.50000799365480        3.4717586929830717        3.6331387921545977        6629.6176283414297        6910.4886033723069       -30.531608169997497       -31.579000000000001        1.0473918300025034     
 qinv final  0.20916000474974511        0.0000000000000000        1673.0000000000000        150.71587324487317        173.50000799365480        3.4699718256736278        3.6331387921545977        6590.4720540771405        6910.4886033723069       -32.631979230744292       -31.579000000000001       -1.0529792307442918     
   9.1599952502548626E-003  0.20916000474974511     
 qinv final   9.1599952502548626E-003   0.0000000000000000        1673.0000000000000        152.59014752094839        173.50000799365480        3.4717586929830717        3.6331387921545977        6629.6176283414297        6910.4886033723069       -30.531608169997497       -31.579000000000001        1.0473918300025034     
 qinv final  0.20916000474974511        0.0000000000000000        1673.0000000000000        150.71587324487317        173.50000799365480        3.4699718256736278        3.6331387921545977        6590.4720540771405        6910.4886033723069       -32.631979230744292       -31.579000000000001       -1.0529792307442918     
 qinv final  0.10889398028988320        0.0000000000000000        1673.0000000000000        151.65728726609115        173.50000799365480        3.4708738669998427        3.6331387921545977        6610.1638682864723        6910.4886033723069       -31.576199043156009       -31.579000000000001        2.8009568439912869E-003
 qinv final  0.10916069665265386        0.0000000000000000        1673.0000000000000        151.65478782391097        173.50000799365480        3.4708714842516910        3.6331387921545977        6610.1116663915709        6910.4886033723069       -31.578999971038570       -31.579000000000001        2.8961430587060022E-008
 qinv final  0.10916070320279543        0.0000000000000000        1673.0000000000000        151.65478776252817        173.50000799365480        3.4708714841931734        3.6331387921545977        6610.1116651095599        6910.4886033723069       -31.579000039825559       -31.579000000000001       -3.9825557962558378E-008
 Changed q  0.10916069665265386       0.10915999999999999     
 before goinv   114.70000000000000        9.9999997764825821E-003   113.70000002235174        115.69999997764826     
 Changed Go   114.70000000000000        114.70000000000000     
 Changed Gop intraphase   1.3575576878773188     
 Changed eta systematics   2.4848998011256542        2.4849000000000001       -12.043500478565692        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: namj           1
 Theta   0.0000000000000000     
 Vo   1.4210854715202004E-014   110.84200000000001        110.84200000000000     
 Gamma   3.4127436177033843E-006
 q   6.9665265386986697E-007
 eta   1.9887434588028441E-007
 Ko   2.9409255830614711E-006
 Kop   5.7473354964088230E-006
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
namj 110.84 172.04   5.20 844.74   1.25   0.11 114.70   1.36   2.48
 After Vo block
 Changed Ko adiab   172.03514494726676        172.03515294092557     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.90914184104363360     
 Changed Kop compress   5.2004952534029076        5.2004942526645035     
 gaminv   1.2497834126961203        1673.0000000000000        116.01939065158574        116.01939065158574        110.84200000000001        110.84200000000001        1.0467096466284056        1.0467511695165126       -4.1522888106992895E-005
 gaminv   1.2517834127911152        1673.0000000000000        116.02859752132495        116.02859752132495        110.84200000000001        110.84200000000000        1.0467927096346596        1.0467511695165126        4.1540118147054272E-005
 gaminv   1.2497834126961203        1673.0000000000000        116.01939065158574        116.01939065158574        110.84200000000001        110.84200000000000        1.0467096466284056        1.0467511695165126       -4.1522888106992895E-005
 gaminv   1.2517834127911152        1673.0000000000000        116.02859752132495        116.02859752132495        110.84200000000001        110.84200000000000        1.0467927096346596        1.0467511695165126        4.1540118147054272E-005
 gaminv   1.2507832053102288        1673.0000000000000        116.02399279430574        116.02399279430574        110.84200000000001        110.84200000000000        1.0467511664739515        1.0467511695165126       -3.0425610919593282E-009
 gaminv   1.2507832803577184        1673.0000000000000        116.02399313978196        116.02399313978196        110.84200000000001        110.84200000000001        1.0467511695907865        1.0467511695165126        7.4273920347422973E-011
 Changed gamma   1.2507832803577184        1.2507834127436177     
 qinv final   9.1606919029087325E-003   0.0000000000000000        1673.0000000000000        152.59012617258261        173.49999968990844        3.4717586930007402        3.6331387921545977        6629.6171645609766        6910.4884380035965       -30.531619993111093       -31.579000000000001        1.0473800068889076     
 qinv final  0.20916070140239901        0.0000000000000000        1673.0000000000000        150.71585201835697        173.49999968990844        3.4699718256554628        3.6331387921545977        6590.4715900000529        6910.4884380035965       -32.631990899552079       -31.579000000000001       -1.0529908995520785     
   9.1606919029087325E-003  0.20916070140239901     
 qinv final   9.1606919029087325E-003   0.0000000000000000        1673.0000000000000        152.59012617258261        173.49999968990844        3.4717586930007402        3.6331387921545977        6629.6171645609766        6910.4884380035965       -30.531619993111093       -31.579000000000001        1.0473800068889076     
 qinv final  0.20916070140239901        0.0000000000000000        1673.0000000000000        150.71585201835697        173.49999968990844        3.4699718256554628        3.6331387921545977        6590.4715900000529        6910.4884380035965       -32.631990899552079       -31.579000000000001       -1.0529908995520785     
 qinv final  0.10889355845756329        0.0000000000000000        1673.0000000000000        151.65727646002932        173.49999968990844        3.4708738769919463        3.6331387921545977        6610.1636232741030        6910.4884380035965       -31.576199043656885       -31.579000000000001        2.8009563431155016E-003
 qinv final  0.10916027480814640        0.0000000000000000        1673.0000000000000        151.65477701823201        173.49999968990844        3.4708714942442267        3.6331387921545977        6610.1114213851815        6910.4884380035965       -31.578999971038883       -31.579000000000001        2.8961117948256287E-008
 qinv final  0.10916028135826265        0.0000000000000000        1673.0000000000000        151.65477695684964        173.49999968990844        3.4708714941857095        3.6331387921545977        6610.1114201031805        6910.4884380035965       -31.579000039825388       -31.579000000000001       -3.9825387432301795E-008
 Changed q  0.10916027480814640       0.10916069665265386     
 before goinv   114.70000000000000        9.9999997764825821E-003   113.70000002235174        115.69999997764826     
 Changed Go   114.70000000000000        114.70000000000000     
 Changed Gop intraphase   1.3575576878773188     
 Changed eta systematics   2.4849000127067495        2.4848998011256542       -12.043500478565692        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: namj           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        110.84200000000001        110.84200000000001     
 Gamma   1.3238589935404832E-007
 q   4.2184450746440838E-007
 eta   2.1158109531072000E-007
 Ko   7.9936588122109242E-006
 Kop   1.0007384041443856E-006
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
namj 110.84 172.04   5.20 844.74   1.25   0.11 114.70   1.36   2.48
 After Vo block
 Changed Ko adiab   172.03514525735429        172.03514494726676     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.90914184104363360     
 Changed Kop compress   5.2004952145825136        5.2004952534029076     
 gaminv   1.2497832803102209        1673.0000000000000        116.01938990097895        116.01938990097895        110.84200000000001        110.84200000000000        1.0467096398565432        1.0467511695165126       -4.1529659969397059E-005
 gaminv   1.2517832804052158        1673.0000000000000        116.02859676997332        116.02859676997332        110.84200000000001        110.84200000000001        1.0467927028560771        1.0467511695165126        4.1533339564470140E-005
 gaminv   1.2497832803102209        1673.0000000000000        116.01938990097895        116.01938990097895        110.84200000000001        110.84200000000000        1.0467096398565432        1.0467511695165126       -4.1529659969397059E-005
 gaminv   1.2517832804052158        1673.0000000000000        116.02859676997332        116.02859676997332        110.84200000000001        110.84200000000001        1.0467927028560771        1.0467511695165126        4.1533339564470140E-005
 gaminv   1.2507832360588698        1673.0000000000000        116.02399279430593        116.02399279430593        110.84200000000001        110.84200000000000        1.0467511664739533        1.0467511695165126       -3.0425593156024888E-009
 gaminv   1.2507833111063613        1673.0000000000000        116.02399313978212        116.02399313978212        110.84200000000001        110.84200000000001        1.0467511695907878        1.0467511695165126        7.4275252615052523E-011
 Changed gamma   1.2507833111063613        1.2507832803577184     
 qinv final   9.1602700584012681E-003   0.0000000000000000        1673.0000000000000        152.59013056572954        173.50000007201854        3.4717586929969637        3.6331387921545977        6629.6172599995980        6910.4884456133004       -30.531615968506628       -31.579000000000001        1.0473840314933724     
 qinv final  0.20916027955789152        0.0000000000000000        1673.0000000000000        150.71585637918548        173.50000007201854        3.4699718256593988        3.6331387921545977        6590.4716853410173        6910.4884456133004       -32.631986907683597       -31.579000000000001       -1.0529869076835965     
   9.1602700584012681E-003  0.20916027955789152     
 qinv final   9.1602700584012681E-003   0.0000000000000000        1673.0000000000000        152.59013056572954        173.50000007201854        3.4717586929969637        3.6331387921545977        6629.6172599995980        6910.4884456133004       -30.531615968506628       -31.579000000000001        1.0473840314933724     
 qinv final  0.20916027955789152        0.0000000000000000        1673.0000000000000        150.71585637918548        173.50000007201854        3.4699718256593988        3.6331387921545977        6590.4716853410173        6910.4884456133004       -32.631986907683597       -31.579000000000001       -1.0529869076835965     
 qinv final  0.10889351828662730        0.0000000000000000        1673.0000000000000        151.65727726032856        173.50000007201854        3.4708738735822604        3.6331387921545977        6610.1636439619188        6910.4884456133004       -31.576199043532199       -31.579000000000001        2.8009564678015408E-003
 qinv final  0.10916023463949623        0.0000000000000000        1673.0000000000000        151.65477781843032        173.50000007201854        3.4708714908344036        3.6331387921545977        6610.1114420710546        6910.4884456133004       -31.578999971038940       -31.579000000000001        2.8961061104837427E-008
 qinv final  0.10916024118961007        0.0000000000000000        1673.0000000000000        151.65477775704775        173.50000007201854        3.4708714907758864        3.6331387921545977        6610.1114407890491        6910.4884456133004       -31.579000039825672       -31.579000000000001       -3.9825671649396099E-008
 Changed q  0.10916023463949623       0.10916027480814640     
 before goinv   114.70000000000000        9.9999997764825821E-003   113.70000002235174        115.69999997764826     
 Changed Go   114.70000000000000        114.70000000000000     
 Changed Gop intraphase   1.3575576878773188     
 Changed eta systematics   2.4848999631304451        2.4849000127067495       -12.043500478565692        300.00000000000000        1000.0000000000000        0.0000000000000000     
qtz   22.42  61.43  19.78 884.20  -0.04   1.00  44.86  -0.04   2.41
 volinv          32   0.0000000000000000        300.00000000000000        22.411050000223518        22.677998044911934        22.687999999999999       -1.0001955088064562E-002
 volinv          32   0.0000000000000000        300.00000000000000        22.431049999776484        22.697998044464903        22.687999999999999        9.9980444649041544E-003
 volinv          32   0.0000000000000000        300.00000000000000        22.411050000223518        22.677998044911934        22.687999999999999       -1.0001955088064562E-002
 volinv          32   0.0000000000000000        300.00000000000000        22.431049999776484        22.697998044464903        22.687999999999999        9.9980444649041544E-003
 volinv          32   0.0000000000000000        300.00000000000000        22.421051955311583        22.688000000000002        22.687999999999999        3.5527136788005009E-015
 volinv          32   0.0000000000000000        300.00000000000000        22.421050610048013        22.687998654736433        22.687999999999999       -1.3452635663213641E-006
 Changed Vo   22.421051955311583        22.421050000000001     
 After Vo block
 Changed Ko adiab   61.425381567650113        61.425370000000001     
 Changed Kop adiabatic   19.780108084971602        19.780110000000001     
 Changed theta cal   884.20481694007924        884.20480999999995       -0.0000000000000000        116.18901122997335        116.18901064263446        5.8733888863571337E-007   0.0000000000000000        1000.0000000000000      qtz                                                                             
 gaminv  -4.0580000047497448E-002   847.00000000000000        23.757234091267485        23.757234091267485        22.421051955311583        22.686070960194289        1.0472167760099442        1.0472418724866044       -2.5096476660158018E-005
 gaminv  -3.8579999952502546E-002   847.00000000000000        23.758364940769145        23.758364940769145        22.421051955311583        22.686067695691587        1.0472667744565183        1.0472418724866044        2.4901969913893041E-005
 gaminv  -4.0580000047497448E-002   847.00000000000000        23.757234091267485        23.757234091267485        22.421051955311583        22.686070960194282        1.0472167760099447        1.0472418724866044       -2.5096476659713929E-005
 gaminv  -3.8579999952502546E-002   847.00000000000000        23.758364940769145        23.758364940769145        22.421051955311583        22.686067695691587        1.0472667744565183        1.0472418724866044        2.4901969913893041E-005
 gaminv  -3.9576109744034284E-002   847.00000000000000        23.757801569621382        23.757801569621382        22.421051955311583        22.686069321591834        1.0472418660472622        1.0472418724866044       -6.4393421705943865E-009
 gaminv  -3.9575852228922771E-002   847.00000000000000        23.757801715227085        23.757801715227085        22.421051955311583        22.686069321171509        1.0472418724849524        1.0472418724866044       -1.6520118606422329E-012
 gaminv  -3.9575849853871720E-002   847.00000000000000        23.757801716570000        23.757801716570000        22.421051955311583        22.686069321167626        1.0472418725443273        1.0472418724866044        5.7722937540916064E-011
 Changed gamma  -3.9575852228922771E-002  -3.9579999999999997E-002
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          32          33          33   1.7640519553115830        1.7640519553115830     
 ispec,jspec,jspecsave,vodiff,vodmin          32          34          33   8.4040519553115836        1.7640519553115830     
 ispec,jspec,jspecsave,vodiff,vodmin          32          35          33   8.7510519553115831        1.7640519553115830     
 Changed q default   1.0000000000000000     
 before goinv   44.857759999999999        9.9999997764825821E-003   43.857760022351741        45.857759977648257     
 Changed Go   44.857763742266989        44.857759999999999     
 Changed Gop  -4.2766110843006869E-002  -4.2770000000000002E-002
 Changed eta systematics   2.4050898637784073        2.4050900000000000       -4.7100653800992092        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: qtz            1
 Theta   6.9400792881424422E-006
 Vo   1.9553115819803679E-006   22.421051955311583        22.421050000000001     
 Gamma   4.1477710772258591E-006
 q   0.0000000000000000     
 eta   1.3622159267256961E-007
 Ko   1.1567650112453975E-005
 Kop   1.9150283989688432E-006
 Go   3.7422669905140538E-006
 Gop   3.8891569931337466E-006
qtz   22.42  61.43  19.78 884.20  -0.04   1.00  44.86  -0.04   2.41
 volinv          32   0.0000000000000000        300.00000000000000        22.411051955535100        22.678000000223520        22.687999999999999       -9.9999997764790294E-003
 volinv          32   0.0000000000000000        300.00000000000000        22.431051955088066        22.697999999776485        22.687999999999999        9.9999997764861348E-003
 volinv          32   0.0000000000000000        300.00000000000000        22.411051955535100        22.678000000223516        22.687999999999999       -9.9999997764825821E-003
 volinv          32   0.0000000000000000        300.00000000000000        22.431051955088066        22.697999999776485        22.687999999999999        9.9999997764861348E-003
 volinv          32   0.0000000000000000        300.00000000000000        22.421051955311583        22.688000000000002        22.687999999999999        3.5527136788005009E-015
 volinv          32   0.0000000000000000        300.00000000000000        22.421050610048013        22.687998654736433        22.687999999999999       -1.3452635663213641E-006
 Changed Vo   22.421051955311583        22.421051955311583     
 After Vo block
 Changed Ko adiab   61.425373944216943        61.425381567650113     
 Changed Kop adiabatic   19.780108986782800        19.780108084971602     
 Changed theta cal   884.20480799018048        884.20481694007924       -0.0000000000000000        116.18900988520456        116.18901064263446       -7.5742990190974524E-007   0.0000000000000000        1000.0000000000000      qtz                                                                             
 gaminv  -4.0575852276420223E-002   847.00000000000000        23.757236432413752        23.757236432413752        22.421051955311583        22.686070953432772        1.0472168795195844        1.0472418724866044       -2.4992967019965562E-005
 gaminv  -3.8575852181425320E-002   847.00000000000000        23.758367284477963        23.758367284477963        22.421051955311583        22.686067688929679        1.0472668780791632        1.0472418724866044        2.5005592558802192E-005
 gaminv  -4.0575852276420223E-002   847.00000000000000        23.757236432413752        23.757236432413752        22.421051955311583        22.686070953432782        1.0472168795195840        1.0472418724866044       -2.4992967020409651E-005
 gaminv  -3.8575852181425320E-002   847.00000000000000        23.758367284477963        23.758367284477963        22.421051955311583        22.686067688929679        1.0472668780791632        1.0472418724866044        2.5005592558802192E-005
 gaminv  -3.9576104746977259E-002   847.00000000000000        23.757801569618952        23.757801569618952        22.421051955311583        22.686069321592178        1.0472418660471392        1.0472418724866044       -6.4394651833055150E-009
 gaminv  -3.9575847160886447E-002   847.00000000000000        23.757801715264801        23.757801715264801        22.421051955311583        22.686069321171729        1.0472418724866048        1.0472418724866044        4.4408920985006262E-016
 gaminv  -3.9575849535937194E-002   847.00000000000000        23.757801713921886        23.757801713921886        22.421051955311583        22.686069321175609        1.0472418724272301        1.0472418724866044       -5.9374283267743522E-011
 Changed gamma  -3.9575847160886447E-002  -3.9575852228922771E-002
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          32          33          33   1.7640519553115830        1.7640519553115830     
 ispec,jspec,jspecsave,vodiff,vodmin          32          34          33   8.4040519553115836        1.7640519553115830     
 ispec,jspec,jspecsave,vodiff,vodmin          32          35          33   8.7510519553115831        1.7640519553115830     
 Changed q default   1.0000000000000000     
 before goinv   44.857763742266989        9.9999997764825821E-003   43.857763764618731        45.857763719915248     
 Changed Go   44.857763747074145        44.857763742266989     
 Changed Gop  -4.2766131928239873E-002  -4.2766110843006869E-002
 Changed eta systematics   2.4050898578827082        2.4050898637784073       -4.7100653806039601        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: qtz            2
 Theta   8.9498987563274568E-006
 Vo   0.0000000000000000        22.421051955311583        22.421051955311583     
 Gamma   5.0680363239408166E-009
 q   0.0000000000000000     
 eta   5.8956990400815812E-009
 Ko   7.6234331700675284E-006
 Kop   9.0181119816179489E-007
 Go   4.8071555625028850E-009
 Gop   2.1085233004036752E-008
qtz   22.42  61.43  19.78 884.20  -0.04   1.00  44.86  -0.04   2.41
 volinv          32   0.0000000000000000        300.00000000000000        22.411051955535100        22.678000000223520        22.687999999999999       -9.9999997764790294E-003
 volinv          32   0.0000000000000000        300.00000000000000        22.431051955088066        22.697999999776485        22.687999999999999        9.9999997764861348E-003
 volinv          32   0.0000000000000000        300.00000000000000        22.411051955535100        22.678000000223516        22.687999999999999       -9.9999997764825821E-003
 volinv          32   0.0000000000000000        300.00000000000000        22.431051955088066        22.697999999776485        22.687999999999999        9.9999997764861348E-003
 volinv          32   0.0000000000000000        300.00000000000000        22.421051955311583        22.688000000000002        22.687999999999999        3.5527136788005009E-015
 volinv          32   0.0000000000000000        300.00000000000000        22.421050610048013        22.687998654736433        22.687999999999999       -1.3452635663213641E-006
 Changed Vo   22.421051955311583        22.421051955311583     
 After Vo block
 Changed Ko adiab   61.425373942872412        61.425373944216943     
 Changed Kop adiabatic   19.780108988047111        19.780108986782800     
 Changed theta cal   884.20480763868682        884.20480799018048       -0.0000000000000000        116.18901061288754        116.18901064263446       -2.9746914265160740E-008   0.0000000000000000        1000.0000000000000      qtz                                                                             
 gaminv  -4.0575847208383899E-002   847.00000000000000        23.757236435274944        23.757236435274944        22.421051955311583        22.686070953424530        1.0472168796460861        1.0472418724866044       -2.4992840518267556E-005
 gaminv  -3.8575847113388996E-002   847.00000000000000        23.758367287342253        23.758367287342253        22.421051955311583        22.686067688921423        1.0472668782058021        1.0472418724866044        2.5005719197723764E-005
 gaminv  -4.0575847208383899E-002   847.00000000000000        23.757236435274944        23.757236435274944        22.421051955311583        22.686070953424533        1.0472168796460859        1.0472418724866044       -2.4992840518489601E-005
 gaminv  -3.8575847113388996E-002   847.00000000000000        23.758367287342253        23.758367287342253        22.421051955311583        22.686067688921423        1.0472668782058021        1.0472418724866044        2.5005719197723764E-005
 gaminv  -3.9576104741903158E-002   847.00000000000000        23.757801569618952        23.757801569618952        22.421051955311583        22.686069321592189        1.0472418660471388        1.0472418724866044       -6.4394656273947248E-009
 gaminv  -3.9575847155794618E-002   847.00000000000000        23.757801715264812        23.757801715264812        22.421051955311583        22.686069321171743        1.0472418724866046        1.0472418724866044        2.2204460492503131E-016
 gaminv  -3.9575849530845364E-002   847.00000000000000        23.757801713921896        23.757801713921896        22.421051955311583        22.686069321175619        1.0472418724272301        1.0472418724866044       -5.9374283267743522E-011
 Changed gamma  -3.9575847155794618E-002  -3.9575847160886447E-002
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          32          33          33   1.7640519553115830        1.7640519553115830     
 ispec,jspec,jspecsave,vodiff,vodmin          32          34          33   8.4040519553115836        1.7640519553115830     
 ispec,jspec,jspecsave,vodiff,vodmin          32          35          33   8.7510519553115831        1.7640519553115830     
 Changed q default   1.0000000000000000     
 before goinv   44.857763747074145        9.9999997764825821E-003   43.857763769425887        45.857763724722403     
 Changed Go   44.857763747150244        44.857763747074145     
 Changed Gop  -4.2766131966035459E-002  -4.2766131928239873E-002
 Changed eta systematics   2.4050898576689255        2.4050898578827082       -4.7100653806119510        300.00000000000000        1000.0000000000000        0.0000000000000000     
coes  20.66 103.54   2.90 880.24   0.29   1.00  61.60   0.50   2.76
 After Vo block
 Changed Ko adiab   103.53815142248536        103.53815000000000     
 Changed Kop adiabatic   2.9007014408736760        2.9007000000000001     
 gaminv  0.28963999995250256        1776.0000000000000        20.954186242275917        20.954186242275917        20.657000000000000        20.656021356099682        1.0144347684888595        1.0144859908513819       -5.1222362522418408E-005
 gaminv  0.29164000004749746        1776.0000000000000        20.956299604167445        20.956299604167445        20.657000000000000        20.656014599209740        1.0145374125059532        1.0144859908513819        5.1421654571282005E-005
 gaminv  0.28963999995250256        1776.0000000000000        20.954186242275917        20.954186242275917        20.657000000000000        20.656021356099679        1.0144347684888595        1.0144859908513819       -5.1222362522418408E-005
 gaminv  0.29164000004749746        1776.0000000000000        20.956299604167445        20.956299604167445        20.657000000000000        20.656014599209740        1.0145374125059532        1.0144859908513819        5.1421654571282005E-005
 gaminv  0.29063805841524942        1776.0000000000000        20.955240759423013        20.955240759423013        20.657000000000000        20.656017984212813        1.0144859854130110        1.0144859908513819       -5.4383708647520734E-009
 gaminv  0.29063816438096618        1776.0000000000000        20.955240871394917        20.955240871394917        20.657000000000000        20.656017983854809        1.0144859908513821        1.0144859908513819        2.2204460492503131E-016
 gaminv  0.29063814694217693        1776.0000000000000        20.955240852967691        20.955240852967691        20.657000000000000        20.656017983913728        1.0144859899563889        1.0144859908513819       -8.9499296862527444E-010
 Changed gamma  0.29063816438096618       0.29064000000000001     
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          33          32          32   1.7640519553115830        1.7640519553115830     
 ispec,jspec,jspecsave,vodiff,vodmin          33          34          32   6.6400000000000006        1.7640519553115830     
 ispec,jspec,jspecsave,vodiff,vodmin          33          35          32   6.9870000000000001        1.7640519553115830     
 Changed q default   1.0000000000000000     
 before goinv   61.600000000000001        9.9999997764825821E-003   60.600000022351743        62.599999977648260     
 Changed Go   61.599999999999987        61.600000000000001     
 Changed Gop  0.49686065117790479       0.49686000000000002     
 Changed eta systematics   2.7598838253898985        2.7598799999999999       -6.4680002570152269        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: coes           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        20.657000000000000        20.657000000000000     
 Gamma   1.8356190338297829E-006
 q   0.0000000000000000     
 eta   3.8253898986262413E-006
 Ko   1.4224853543964855E-006
 Kop   1.4408736759286001E-006
 Go   1.4210854715202004E-014
 Gop   6.5117790476465487E-007
coes  20.66 103.54   2.90 880.24   0.29   1.00  61.60   0.50   2.76
 After Vo block
 Changed Ko adiab   103.53815220372724        103.53815142248536     
 Changed Kop adiabatic   2.9007014321595062        2.9007014408736760     
 gaminv  0.28963816433346873        1776.0000000000000        20.954184300698490        20.954184300698490        20.657000000000000        20.656021362308604        1.0144346741882224        1.0144859908513819       -5.1316663159495235E-005
 gaminv  0.29163816442846363        1776.0000000000000        20.956297661749296        20.956297661749296        20.657000000000000        20.656014605418701        1.0145373181645516        1.0144859908513819        5.1327313169702293E-005
 gaminv  0.28963816433346873        1776.0000000000000        20.954184300698490        20.954184300698490        20.657000000000000        20.656021362308600        1.0144346741882226        1.0144859908513819       -5.1316663159273190E-005
 gaminv  0.29163816442846363        1776.0000000000000        20.956297661749296        20.956297661749296        20.657000000000000        20.656014605418701        1.0145373181645516        1.0144859908513819        5.1327313169702293E-005
 gaminv  0.29063806062416214        1776.0000000000000        20.955240759422640        20.955240759422640        20.657000000000000        20.656017984212752        1.0144859854129959        1.0144859908513819       -5.4383859637852083E-009
 gaminv  0.29063816659017394        1776.0000000000000        20.955240871394849        20.955240871394849        20.657000000000000        20.656017983854753        1.0144859908513817        1.0144859908513819       -2.2204460492503131E-016
 gaminv  0.29063818402896330        1776.0000000000000        20.955240889822075        20.955240889822075        20.657000000000000        20.656017983795842        1.0144859917463747        1.0144859908513819        8.9499274658066952E-010
 Changed gamma  0.29063816659017394       0.29063816438096618     
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          33          32          32   1.7640519553115830        1.7640519553115830     
 ispec,jspec,jspecsave,vodiff,vodmin          33          34          32   6.6400000000000006        1.7640519553115830     
 ispec,jspec,jspecsave,vodiff,vodmin          33          35          32   6.9870000000000001        1.7640519553115830     
 Changed q default   1.0000000000000000     
 before goinv   61.599999999999987        9.9999997764825821E-003   60.600000022351729        62.599999977648245     
 Changed Go   61.599999999999987        61.599999999999987     
 Changed Gop  0.49686064832283000       0.49686065117790479     
 Changed eta systematics   2.7598838250300242        2.7598838253898985       -6.4680002570152269        300.00000000000000        1000.0000000000000        0.0000000000000000     
st    14.02 305.83   4.031092.17   1.56   2.21 228.00   1.94   4.40
 volinv          34   0.0000000000000000        300.00000000000000        14.007000000223517        14.007000000223519        14.017000000000001       -9.9999997764825821E-003
 volinv          34   0.0000000000000000        300.00000000000000        14.026999999776482        14.026999999776480        14.017000000000001        9.9999997764790294E-003
 volinv          34   0.0000000000000000        300.00000000000000        14.007000000223517        14.007000000223519        14.017000000000001       -9.9999997764825821E-003
 volinv          34   0.0000000000000000        300.00000000000000        14.026999999776482        14.026999999776480        14.017000000000001        9.9999997764790294E-003
 volinv          34   0.0000000000000000        300.00000000000000        14.017000000000001        14.017000000000001        14.017000000000001        0.0000000000000000     
 Changed Vo   14.017000000000001        14.016999999999999     
 After Vo block
 Changed Ko adiab   305.83303689368483        305.83301999999998     
 Changed Kop adiabatic   4.0291994957657664        4.0292000000000003     
 gaminv   1.5557399999525026        2000.0000000000000        13.693520251757896        13.693520251757896        14.017000000000001        13.385245284077284        1.0230309539450373        1.0230486069849358       -1.7653039898535283E-005
 gaminv   1.5577400000474975        2000.0000000000000        13.694207560290216        13.694207560290216        14.017000000000001        13.385457365405429        1.0230660922863009        1.0230486069849358        1.7485301365027794E-005
 gaminv   1.5557399999525026        2000.0000000000000        13.693520251757896        13.693520251757896        14.017000000000001        13.385245284077284        1.0230309539450373        1.0230486069849358       -1.7653039898535283E-005
 gaminv   1.5577400000474975        2000.0000000000000        13.694207560290216        13.694207560290216        14.017000000000001        13.385457365405429        1.0230660922863009        1.0230486069849358        1.7485301365027794E-005
 gaminv   1.5567447736613467        2000.0000000000000        13.693865512368991        13.693865512368991        14.017000000000001        13.385351829412699        1.0230486046902683        1.0230486069849358       -2.2946675670709737E-009
 gaminv   1.5567449042518353        2000.0000000000000        13.693865557247008        13.693865557247008        14.017000000000001        13.385351843260601        1.0230486069846376        1.0230486069849358       -2.9820590441431705E-013
 gaminv   1.5567449976570262        2000.0000000000000        13.693865589346132        13.693865589346132        14.017000000000001        13.385351853165353        1.0230486086256911        1.0230486069849358        1.6407553093955585E-009
 Changed gamma   1.5567449042518353        1.5567400000000000     
 qinv final   2.1095999952502549        20.000000000000000        2000.0000000000000        343.99512139554810        371.18028128314830        4.3873450981270858        4.4886213047159780        8854.7283766646906        9093.6024719068373       -27.185159887600207       -43.000000000000000        15.814840112399793     
 qinv final   2.3096000047497451        20.000000000000000        2000.0000000000000        341.75944866194629        370.42684820002796        4.3881198251581743        4.4891037242773262        8825.1282632815237        9083.8804105880208       -28.667399538081668       -43.000000000000000        14.332600461918332     
 qinv final   2.6296000247173015        20.000000000000000        2000.0000000000000        338.18935605988935        369.21939976854009        4.3893820914221440        4.4898807696477965        8777.6502808900786        9068.2785488398076       -31.030043708650737       -43.000000000000000        11.969956291349263     
 qinv final   3.4616000842623427        20.000000000000000        2000.0000000000000        328.94801492579637        366.06819753685897        4.3928006697113524        4.4919315883129842        8653.5216888634077        9027.4363233293971       -37.120182611062603       -43.000000000000000        5.8798173889373970     
 qinv final   5.6248002589158776        20.000000000000000        2000.0000000000000        305.20641988327048        357.78474337168439        4.4027229091761786        4.4974823930144794        8325.9951881280158        8919.2055527613047       -52.578323488413901       -43.000000000000000       -9.5783234884139006     
   2.1095999952502549        5.6248002589158776     
 qinv final   2.1095999952502549        20.000000000000000        2000.0000000000000        343.99512139554810        371.18028128314830        4.3873450981270858        4.4886213047159780        8854.7283766646906        9093.6024719068373       -27.185159887600207       -43.000000000000000        15.814840112399793     
 qinv final   5.6248002589158776        20.000000000000000        2000.0000000000000        305.20641988327048        357.78474337168444        4.4027229091761786        4.4974823930144803        8325.9951881280158        8919.2055527613047       -52.578323488413957       -43.000000000000000       -9.5783234884139574     
 qinv final   4.2988636493132688        20.000000000000000        2000.0000000000000        319.70916950278166        362.87850748188282        4.3964537958721790        4.4940414261613766        8527.5895653761218        8985.9104773761010       -43.169337979101158       -43.000000000000000      -0.16933797910115800     
 qinv final   4.2752529510806241        20.000000000000000        2000.0000000000000        319.96885205535517        362.96872663060714        4.3963476868518230        4.4939812775414465        8531.1550643702922        8987.0875922895830       -42.999874575251965       -43.000000000000000        1.2542474803467485E-004
 qinv final   4.2752704260386949        20.000000000000000        2000.0000000000000        319.96865983841599        362.96865986278863        4.3963477653179774        4.4939813220449851        8531.1524257500387        8987.0867212064113       -43.000000024372639       -43.000000000000000       -2.4372639018110931E-008
 qinv final   4.2752701695219786        20.000000000000000        2000.0000000000000        319.96866265998830        362.96866084288087        4.3963477641661628        4.4939813213917139        8531.1524644826259        8987.0867339931374       -42.999998182892568       -43.000000000000000        1.8171074316342128E-006
 Changed q   4.2752704260386949        2.2096000000000000     
 before goinv   228.00000000000000        9.9999997764825821E-003   227.00000002235174        228.99999997764826     
 Changed Go   228.00000000000000        228.00000000000000     
 Changed Gop   1.9404543622102248        1.9404500000000000     
 Changed eta systematics   4.3293515522974104        4.4039400000000004       -23.940000951290127        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: st             1
 Theta   0.0000000000000000     
 Vo   1.7763568394002505E-015   14.017000000000001        14.016999999999999     
 Gamma   4.9042518353026310E-006
 q   2.0656704260386949     
 eta   7.4588447702589988E-002
 Ko   1.6893684858132474E-005
 Kop   5.0423423392231825E-007
 Go   0.0000000000000000     
 Gop   4.3622102248175310E-006
st    14.02 305.83   4.031092.17   1.56   4.28 228.00   1.94   4.33
 After Vo block
 Changed Ko adiab   305.83302324034582        305.83303689368483     
 Changed Kop adiabatic   4.0350857277680845        4.0291994957657664     
 gaminv   1.5557449042043379        2000.0000000000000        13.666704933266983        13.666704933266983        14.017000000000001        13.370089199488730        1.0221850228037070        1.0230486069849358       -8.6358418122878255E-004
 gaminv   1.5577449042993328        2000.0000000000000        13.667403327014343        13.667403327014343        14.017000000000001        13.370289079654007        1.0222219763230447        1.0230486069849358       -8.2663066189114787E-004
 gaminv   1.5609449044990082        2000.0000000000000        13.668521642353024        13.668521642353024        14.017000000000001        13.370608942783914        1.0222811616766261        1.0230486069849358       -7.6744530830974433E-004
 gaminv   1.5692649050944585        2000.0000000000000        13.671434380912789        13.671434380912789        14.017000000000001        13.371440902557445        1.0224353890161506        1.0230486069849358       -6.1321796878521795E-004
 gaminv   1.5908969068409935        2000.0000000000000        13.679042426519343        13.679042426519343        14.017000000000001        13.373606125677428        1.0228387390784206        1.0230486069849358       -2.0986790651522647E-004
 gaminv   1.6471401118977316        2000.0000000000000        13.699065368781891        13.699065368781891        14.017000000000001        13.379249992262173        1.0239038344230569        1.0230486069849358        8.5522743812105340E-004
 gaminv   1.5557449042043379        2000.0000000000000        13.666704933266987        13.666704933266987        14.017000000000001        13.370089199488731        1.0221850228037070        1.0230486069849358       -8.6358418122878255E-004
 gaminv   1.6471401118977316        2000.0000000000000        13.699065368781890        13.699065368781890        14.017000000000001        13.379249992262171        1.0239038344230569        1.0230486069849358        8.5522743812105340E-004
 gaminv   1.6016646866374991        2000.0000000000000        13.682848513604036        13.682848513604036        14.017000000000001        13.374685052472239        1.0230408013289878        1.0230486069849358       -7.8056559480454979E-006
 gaminv   1.6020759866514982        2000.0000000000000        13.682994148904589        13.682994148904589        14.017000000000001        13.374726279562482        1.0230485366876749        1.0230486069849358       -7.0297260901241998E-008
 gaminv   1.6020797241495470        2000.0000000000000        13.682995472383475        13.682995472383475        14.017000000000001        13.374726654199598        1.0230486069849571        1.0230486069849358        2.1316282072803006E-014
 gaminv   1.6020796280242671        2000.0000000000000        13.682995438344699        13.682995438344699        14.017000000000001        13.374726644564246        1.0230486051769694        1.0230486069849358       -1.8079664432235631E-009
 Changed gamma   1.6020797241495470        1.5567449042518353     
 qinv final   4.1752704212889498        20.000000000000000        2000.0000000000000        319.77368138092493        385.74233698986706        4.3907743765191958        4.5432399164810491        8533.9638298597674        9214.3736226904148       -65.968655608942129       -43.000000000000000       -22.968655608942129     
 qinv final   4.3752704307884400        20.000000000000000        2000.0000000000000        317.50648289834555        385.70909767415566        4.3916626689759113        4.5432399164810491        8502.7970206164373        9213.9766140620559       -68.202614775810105       -43.000000000000000       -25.202614775810105     
 qinv final   3.8552704013213934        20.000000000000000        2000.0000000000000        323.40943368615592        385.79617112952769        4.3893808701937305        4.5432399164810482        8583.7035184838569        9215.0165785226400       -62.386737443371771       -43.000000000000000       -19.386737443371771     
 qinv final   3.0232703417763522        20.000000000000000        2000.0000000000000        332.90901841332152        385.93981793052558        4.3859103732840028        4.5432399164810491        8712.3016510397683        9216.7319719839670       -53.030799517204059       -43.000000000000000       -10.030799517204059     
 qinv final  0.86007016712281770        20.000000000000000        2000.0000000000000        357.90845945026871        386.33698690498437        4.3778107595361622        4.5432399164810491        9041.8539875993883        9221.4732017335009       -28.428527454715663       -43.000000000000000        14.571472545284337     
  0.86007016712281770        4.3752704307884400     
 qinv final  0.86007016712281770        20.000000000000000        2000.0000000000000        357.90845945026871        386.33698690498437        4.3778107595361622        4.5432399164810491        9041.8539875993883        9221.4732017335009       -28.428527454715663       -43.000000000000000        14.571472545284337     
 qinv final   4.3752704307884400        20.000000000000000        2000.0000000000000        317.50648289834555        385.70909767415520        4.3916626689759113        4.5432399164810491        8502.7970206164373        9213.9766140620504       -68.202614775809650       -43.000000000000000       -25.202614775809650     
 qinv final   2.1478846107245122        20.000000000000000        2000.0000000000000        342.97466546122860        386.09652308823320        4.3824810429807082        4.5432399164810482        8846.4901338617274        9218.6029409663788       -43.121857627004601       -43.000000000000000      -0.12185762700460145     
 qinv final   2.1372042536999678        20.000000000000000        2000.0000000000000        343.09791009941949        386.09846937638861        4.3824405294791520        4.5432399164810491        8848.1203395245138        9218.6261761343085       -43.000559276969113       -43.000000000000000       -5.5927696911339808E-004
 qinv final   2.1371550110808504        20.000000000000000        2000.0000000000000        343.09847835245614        386.09847835179528        4.3824403427604031        4.5432399164810491        8848.1278553262000        9218.6262832843295       -42.999999999339138       -43.000000000000000        6.6086158767575398E-010
 qinv final   2.1371551393106465        20.000000000000000        2000.0000000000000        343.09847687270167        386.09847832842337        4.3824403432466257        4.5432399164810491        8848.1278357547490        9218.6262830053129       -43.000001455721701       -43.000000000000000       -1.4557217014043999E-006
 Changed q   2.1371550110808504        4.2752704260386949     
 before goinv   228.00000000000000        9.9999997764825821E-003   227.00000002235174        228.99999997764826     
 Changed Go   228.00000000000000        228.00000000000000     
 Changed Gop   1.9406255871036335        1.9404543622102248     
 Changed eta systematics   4.2971896854188376        4.3293515522974104       -23.940000951290127        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: st             2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        14.017000000000001        14.017000000000001     
 Gamma   4.5334819897711709E-002
 q   2.1381154149578445     
 eta   3.2161866878572809E-002
 Ko   1.3653339010488708E-005
 Kop   5.8862320023180814E-003
 Go   0.0000000000000000     
 Gop   1.7122489340870573E-004
st    14.02 305.83   4.041092.17   1.60   2.14 228.00   1.94   4.30
 After Vo block
 Changed Ko adiab   305.70497407307948        305.83302324034582     
 Changed Kop adiabatic   4.0299203374955601        4.0350857277680845     
 gaminv   1.6010797241020496        2000.0000000000000        13.709905789259761        13.709905789259761        14.017000000000001        13.390356150153659        1.0238641627991676        1.0230486069849358        8.1555581423176093E-004
 gaminv   1.6030797241970445        2000.0000000000000        13.710599052751284        13.710599052751284        14.017000000000001        13.390568963369478        1.0238996632822148        1.0230486069849358        8.5105629727899590E-004
 gaminv   1.5978797239023741        2000.0000000000000        13.708797142810525        13.708797142810525        14.017000000000001        13.390015673668159        1.0238074007463083        1.0230486069849358        7.5879376137244492E-004
 gaminv   1.5895597233069239        2000.0000000000000        13.705917964611730        13.705917964611730        14.017000000000001        13.389130576738772        1.0236600417075117        1.0230486069849358        6.1143472257585429E-004
 gaminv   1.5679277215603888        2000.0000000000000        13.698454257904570        13.698454257904570        14.017000000000001        13.386830282215998        1.0232783989278296        1.0230486069849358        2.2979194289374227E-004
 gaminv   1.5116845165036508        2000.0000000000000        13.679195506703744        13.679195506703744        14.017000000000001        13.380855960962267        1.0222959985976878        1.0230486069849358       -7.5260838724799939E-004
 gaminv   1.5116845165036508        2000.0000000000000        13.679195506703742        13.679195506703742        14.017000000000001        13.380855960962268        1.0222959985976876        1.0230486069849358       -7.5260838724822143E-004
 gaminv   1.6030797241970445        2000.0000000000000        13.710599052751284        13.710599052751284        14.017000000000001        13.390568963369478        1.0238996632822148        1.0230486069849358        8.5105629727899590E-004
 gaminv   1.5545767747967989        2000.0000000000000        13.693863584943301        13.693863584943301        14.017000000000001        13.385411263719798        1.0230439181244690        1.0230486069849358       -4.6888604667838507E-006
 gaminv   1.5548442017576329        2000.0000000000000        13.693955421156810        13.693955421156810        14.017000000000001        13.385439682308665        1.0230486070066047        1.0230486069849358        2.1668888905423955E-011
 gaminv   1.5548441084664841        2000.0000000000000        13.693955389119166        13.693955389119166        14.017000000000001        13.385439672394885        1.0230486053708450        1.0230486069849358       -1.6140908609685312E-009
 Changed gamma   1.5548442017576329        1.6020797241495470     
 qinv final   2.0371550063311052        20.000000000000000        2000.0000000000000        344.70904067391820        385.78807368101803        4.3873177070852236        4.5433751440901693        8863.9397300639102        9214.7827353206467       -41.079033007099838       -43.000000000000000        1.9209669929001620     
 qinv final   2.2371550158305955        20.000000000000000        2000.0000000000000        342.47529650064530        385.75332661256812        4.3880896108675085        4.5433751440901702        8834.3963804917657        9214.3677485464959       -43.278030111922817       -43.000000000000000      -0.27803011192281701     
   2.0371550063311052        2.2371550158305955     
 qinv final   2.0371550063311052        20.000000000000000        2000.0000000000000        344.70904067391820        385.78807368101809        4.3873177070852245        4.5433751440901702        8863.9397300639084        9214.7827353206467       -41.079033007099895       -43.000000000000000        1.9209669929001052     
 qinv final   2.2371550158305955        20.000000000000000        2000.0000000000000        342.47529650064530        385.75332661256812        4.3880896108675085        4.5433751440901702        8834.3963804917657        9214.3677485464959       -43.278030111922817       -43.000000000000000      -0.27803011192281701     
 qinv final   2.2118680225445422        20.000000000000000        2000.0000000000000        342.75753633095036        385.75770443829623        4.3879914231912718        4.5433751440901702        8838.1348018030712        9214.4200342676631       -43.000168107345871       -43.000000000000000       -1.6810734587124898E-004
 qinv final   2.2118527251764881        20.000000000000000        2000.0000000000000        342.75770708806687        385.75770708801639        4.3879913638447920        4.5433751440901702        8838.1370630885267        9214.4200659139988       -42.999999999949523       -43.000000000000000        5.0476955948397517E-011
 qinv final   2.2118528578881471        20.000000000000000        2000.0000000000000        342.75770560667115        385.75770706502880        4.3879913643596504        4.5433751440901702        8838.1370434708460        9214.4200656394496       -43.000001458357644       -43.000000000000000       -1.4583576444238133E-006
 Changed q   2.2118527251764881        2.1371550110808504     
 before goinv   228.00000000000000        9.9999997764825821E-003   227.00000002235174        228.99999997764826     
 Changed Go   228.00000000000000        228.00000000000000     
 Changed Gop   1.9407623646277448        1.9406255871036335     
 Changed eta systematics   4.4077939400620147        4.2971896854188376       -23.940000951290127        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: st             3
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        14.017000000000001        14.017000000000001     
 Gamma   4.7235522391914087E-002
 q   7.4697714095637746E-002
 eta  0.11060425464317714     
 Ko  0.12804916726634019     
 Kop   5.1653902725243839E-003
 Go   0.0000000000000000     
 Gop   1.3677752411123123E-004
st    14.02 305.70   4.031092.17   1.55   2.21 228.00   1.94   4.41
 After Vo block
 Changed Ko adiab   305.83831153609583        305.70497407307948     
 Changed Kop adiabatic   4.0291677709542366        4.0299203374955601     
 gaminv   1.5538442017101355        2000.0000000000000        13.692847174035887        13.692847174035887        14.017000000000001        13.385037570321474        1.0229965438720110        1.0230486069849358       -5.2063112924827237E-005
 gaminv   1.5558442018051304        2000.0000000000000        13.693534228085438        13.693534228085438        14.017000000000001        13.385249625007901        1.0230316663278034        1.0230486069849358       -1.6940657132424874E-005
 gaminv   1.5590442020048059        2000.0000000000000        13.694634082867299        13.694634082867299        14.017000000000001        13.385588938014696        1.0230879004490363        1.0230486069849358        3.9293464100476072E-005
 gaminv   1.5538442017101355        2000.0000000000000        13.692847174035885        13.692847174035885        14.017000000000001        13.385037570321476        1.0229965438720108        1.0230486069849358       -5.2063112925049282E-005
 gaminv   1.5590442020048059        2000.0000000000000        13.694634082867298        13.694634082867298        14.017000000000001        13.385588938014694        1.0230879004490363        1.0230486069849358        3.9293464100476072E-005
 gaminv   1.5568076249399274        2000.0000000000000        13.693865287407670        13.693865287407670        14.017000000000001        13.385351778573851        1.0230485917693746        1.0230486069849358       -1.5215561255388366E-008
 gaminv   1.5568084906717614        2000.0000000000000        13.693865584926028        13.693865584926028        14.017000000000001        13.385351870370300        1.0230486069804896        1.0230486069849358       -4.4462211690188269E-012
 gaminv   1.5568085840807675        2000.0000000000000        13.693865617027074        13.693865617027074        14.017000000000001        13.385351880274774        1.0230486086217083        1.0230486069849358        1.6367724953170182E-009
 Changed gamma   1.5568084906717614        1.5548442017576329     
 qinv final   2.1118527204267430        20.000000000000000        2000.0000000000000        343.97404805504135        385.89874273774387        4.3873450490053409        4.5432772762679372        8854.4571991828798        9216.2036020246796       -41.924694682702523       -43.000000000000000        1.0753053172974774     
 qinv final   2.3118527299262333        20.000000000000000        2000.0000000000000        341.73830660986721        385.86403737033646        4.3881198570834732        4.5432772762679363        8824.8552552488527        9215.7891682777099       -44.125730760469253       -43.000000000000000       -1.1257307604692528     
   2.1118527204267430        2.3118527299262333     
 qinv final   2.1118527204267430        20.000000000000000        2000.0000000000000        343.97404805504135        385.89874273774393        4.3873450490053409        4.5432772762679363        8854.4571991828798        9216.2036020246815       -41.924694682702579       -43.000000000000000        1.0753053172974205     
 qinv final   2.3118527299262333        20.000000000000000        2000.0000000000000        341.73830660986721        385.86403737033646        4.3881198570834732        4.5432772762679363        8824.8552552488527        9215.7891682777099       -44.125730760469253       -43.000000000000000       -1.1257307604692528     
 qinv final   2.2095617383963861        20.000000000000000        2000.0000000000000        342.88137032434963        385.88175262027477        4.3877222322807272        4.5432772762679363        8840.0023699590893        9216.0007170602912       -43.000382295925135       -43.000000000000000       -3.8229592513516764E-004
 qinv final   2.2095270129250135        20.000000000000000        2000.0000000000000        342.88175851709116        385.88175864665425        4.3877220977759386        4.5432772762679363        8840.0075095512057        9216.0007890241977       -43.000000129563091       -43.000000000000000       -1.2956309092260199E-007
 qinv final   2.2095268803528976        20.000000000000000        2000.0000000000000        342.88175999910271        385.88175866966071        4.3877220972624391        4.5432772762679354        8840.0075291727262        9216.0007892989306       -42.999998670558000       -43.000000000000000        1.3294420000420359E-006
 Changed q   2.2095270129250135        2.2118527251764881     
 before goinv   228.00000000000000        9.9999997764825821E-003   227.00000002235174        228.99999997764826     
 Changed Go   228.00000000000000        228.00000000000000     
 Changed Gop   1.9404416232976791        1.9407623646277448     
 Changed eta systematics   4.4038158265959231        4.4077939400620147       -23.940000951290127        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: st             4
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        14.017000000000001        14.017000000000001     
 Gamma   1.9642889141284758E-003
 q   2.3257122514745987E-003
 eta   3.9781134660916706E-003
 Ko  0.13333746301634619     
 Kop   7.5256654132349610E-004
 Go   0.0000000000000000     
 Gop   3.2074133006565475E-004
st    14.02 305.84   4.031092.17   1.56   2.21 228.00   1.94   4.40
 After Vo block
 Changed Ko adiab   305.83284621312959        305.83831153609583     
 Changed Kop adiabatic   4.0292006681996959        4.0291677709542366     
 gaminv   1.5558084906242640        2000.0000000000000        13.693544471255477        13.693544471255477        14.017000000000001        13.385252728755392        1.0230321943669980        1.0230486069849358       -1.6412617937833218E-005
 gaminv   1.5578084907192589        2000.0000000000000        13.694231789036452        13.694231789036452        14.017000000000001        13.385464810998339        1.0230673332900933        1.0230486069849358        1.8726305157423795E-005
 gaminv   1.5558084906242640        2000.0000000000000        13.693544471255473        13.693544471255473        14.017000000000001        13.385252728755390        1.0230321943669980        1.0230486069849358       -1.6412617937833218E-005
 gaminv   1.5578084907192589        2000.0000000000000        13.694231789036452        13.694231789036452        14.017000000000001        13.385464810998339        1.0230673332900933        1.0230486069849358        1.8726305157423795E-005
 gaminv   1.5567426466695644        2000.0000000000000        13.693865468273028        13.693865468273028        14.017000000000001        13.385351786181163        1.0230486047001297        1.0230486069849358       -2.2848061220770433E-009
 gaminv   1.5567427767159840        2000.0000000000000        13.693865512964047        13.693865512964047        14.017000000000001        13.385351799971403        1.0230486069849358        1.0230486069849358        0.0000000000000000     
 Changed gamma   1.5567427767159840        1.5568084906717614     
 qinv final   2.1095270081752684        20.000000000000000        2000.0000000000000        343.99578644581067        385.89414885682959        4.3873451135660648        4.5432812718848972        8854.7369205617633        9216.1446927180277       -41.898362411018923       -43.000000000000000        1.1016375889810774     
 qinv final   2.3095270176747587        20.000000000000000        2000.0000000000000        341.76011607249609        385.85944226729163        4.3881198380799527        4.5432812718848972        8825.1368674318473        9215.7302420919114       -44.099326194795538       -43.000000000000000       -1.0993261947955375     
   2.1095270081752684        2.3095270176747587     
 qinv final   2.1095270081752684        20.000000000000000        2000.0000000000000        343.99578644581067        385.89414885682959        4.3873451135660648        4.5432812718848972        8854.7369205617633        9216.1446927180277       -41.898362411018923       -43.000000000000000        1.1016375889810774     
 qinv final   2.3095270176747587        20.000000000000000        2000.0000000000000        341.76011607249609        385.85944226729163        4.3881198380799527        4.5432812718848972        8825.1368674318473        9215.7302420919114       -44.099326194795538       -43.000000000000000       -1.0993261947955375     
 qinv final   2.2096320302956927        20.000000000000000        2000.0000000000000        342.87635990732264        385.87674234138899        4.3877315367021374        4.5432812718848972        8839.9284088562345        9215.9368341971913       -43.000382434066353       -43.000000000000000       -3.8243406635274368E-004
 qinv final   2.2095972787552394        20.000000000000000        2000.0000000000000        342.87674837218691        385.87674837192219        4.3877314020884794        4.5432812718848972        8839.9335520957447        9215.9369062111364       -42.999999999735280       -43.000000000000000        2.6471980163478293E-010
 qinv final   2.2095974113315715        20.000000000000000        2000.0000000000000        342.87674689020156        385.87674834891590        4.3877314026020251        4.5432812718848963        8839.9335324744025        9215.9369059364053       -43.000001458714337       -43.000000000000000       -1.4587143368771649E-006
 Changed q   2.2095972787552394        2.2095270129250135     
 before goinv   228.00000000000000        9.9999997764825821E-003   227.00000002235174        228.99999997764826     
 Changed Go   228.00000000000000        228.00000000000000     
 Changed Gop   1.9404548234801926        1.9404416232976791     
 Changed eta systematics   4.4039441216334732        4.4038158265959231       -23.940000951290127        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: st             5
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        14.017000000000001        14.017000000000001     
 Gamma   6.5713955777368938E-005
 q   7.0265830225846315E-005
 eta   1.2829503755007465E-004
 Ko   5.4653229662449121E-003
 Kop   3.2897245459295732E-005
 Go   0.0000000000000000     
 Gop   1.3200182513495307E-005
st    14.02 305.83   4.031092.17   1.56   2.21 228.00   1.94   4.40
 After Vo block
 Changed Ko adiab   305.83302916336839        305.83284621312959     
 Changed Kop adiabatic   4.0291995440084731        4.0292006681996959     
 gaminv   1.5557427766684866        2000.0000000000000        13.693521230774840        13.693521230774840        14.017000000000001        13.385245584195321        1.0230310041485915        1.0230486069849358       -1.7602836344332573E-005
 gaminv   1.5577427767634815        2000.0000000000000        13.694208539683631        13.694208539683631        14.017000000000001        13.385457665559215        1.0230661425136647        1.0230486069849358        1.7535528728851446E-005
 gaminv   1.5557427766684866        2000.0000000000000        13.693521230774840        13.693521230774840        14.017000000000001        13.385245584195321        1.0230310041485915        1.0230486069849358       -1.7602836344332573E-005
 gaminv   1.5577427767634815        2000.0000000000000        13.694208539683631        13.694208539683631        14.017000000000001        13.385457665559215        1.0230661425136647        1.0230486069849358        1.7535528728851446E-005
 gaminv   1.5567446922182715        2000.0000000000000        13.693865509355344        13.693865509355344        14.017000000000001        13.385351826467550        1.0230486046902221        1.0230486069849358       -2.2947137523487982E-009
 gaminv   1.5567448228113487        2000.0000000000000        13.693865554234252        13.693865554234252        14.017000000000001        13.385351840315726        1.0230486069846372        1.0230486069849358       -2.9864999362416711E-013
 gaminv   1.5567449162165348        2000.0000000000000        13.693865586333375        13.693865586333375        14.017000000000001        13.385351850220479        1.0230486086256907        1.0230486069849358        1.6407548653063486E-009
 Changed gamma   1.5567448228113487        1.5567427767159840     
 qinv final   2.1095972740054942        20.000000000000000        2000.0000000000000        343.99514563624047        385.89430319363663        4.3873450991373311        4.5432811382915297        8854.7286876332928        9216.1466711963312       -41.899157557396165       -43.000000000000000        1.1008424426038346     
 qinv final   2.3095972835049845        20.000000000000000        2000.0000000000000        341.75947299484841        385.85959663992162        4.3881198260779692        4.5432811382915288        8825.1285765263801        9215.7322210747934       -44.100123645073211       -43.000000000000000       -1.1001236450732108     
   2.1095972740054942        2.3095972835049845     
 qinv final   2.1095972740054942        20.000000000000000        2000.0000000000000        343.99514563624047        385.89430319363663        4.3873450991373311        4.5432811382915297        8854.7286876332928        9216.1466711963312       -41.899157557396165       -43.000000000000000        1.1008424426038346     
 qinv final   2.3095972835049845        20.000000000000000        2000.0000000000000        341.75947299484841        385.85959663992162        4.3881198260779692        4.5432811382915288        8825.1285765263801        9215.7322210747934       -44.100123645073211       -43.000000000000000       -1.1001236450732108     
 qinv final   2.2096299370305661        20.000000000000000        2000.0000000000000        342.87652681634665        385.87690925267333        4.3877312431888909        4.5432811382915297        8839.9308561229591        9215.9389628727895       -43.000382436326674       -43.000000000000000       -3.8243632667445127E-004
 qinv final   2.2095951853385727        20.000000000000000        2000.0000000000000        342.87691528350888        385.87691528324382        4.3877311085749007        4.5432811382915297        8839.9359993914240        9215.9390348871639       -42.999999999734939       -43.000000000000000        2.6506086214794777E-010
 qinv final   2.2095953179147791        20.000000000000000        2000.0000000000000        342.87691380152330        385.87691526023735        4.3877311090884463        4.5432811382915288        8839.9359797700799        9215.9390346124328       -43.000001458714053       -43.000000000000000       -1.4587140526600706E-006
 Changed q   2.2095951853385727        2.2095972787552394     
 before goinv   228.00000000000000        9.9999997764825821E-003   227.00000002235174        228.99999997764826     
 Changed Go   228.00000000000000        228.00000000000000     
 Changed Gop   1.9404543809310941        1.9404548234801926     
 Changed eta systematics   4.4039401879306146        4.4039441216334732       -23.940000951290127        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: st             6
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        14.017000000000001        14.017000000000001     
 Gamma   2.0460953646939117E-006
 q   2.0934166666819465E-006
 eta   3.9337028585606504E-006
 Ko   1.8295023880909866E-004
 Kop   1.1241912227788475E-006
 Go   0.0000000000000000     
 Gop   4.4254909847829538E-007
st    14.02 305.83   4.031092.17   1.56   2.21 228.00   1.94   4.40
 After Vo block
 Changed Ko adiab   305.83302346707478        305.83302916336839     
 Changed Kop adiabatic   4.0291995792933104        4.0291995440084731     
 gaminv   1.5557448227638513        2000.0000000000000        13.693521953254766        13.693521953254766        14.017000000000001        13.385245805975698        1.0230310411738155        1.0230486069849358       -1.7565811120334729E-005
 gaminv   1.5577448228588462        2000.0000000000000        13.694209262440408        13.694209262440408        14.017000000000001        13.385457887366432        1.0230661795563516        1.0230486069849358        1.7572571415769289E-005
 gaminv   1.5557448227638513        2000.0000000000000        13.693521953254768        13.693521953254768        14.017000000000001        13.385245805975696        1.0230310411738157        1.0230486069849358       -1.7565811120112684E-005
 gaminv   1.5577448228588462        2000.0000000000000        13.694209262440408        13.694209262440408        14.017000000000001        13.385457887366432        1.0230661795563516        1.0230486069849358        1.7572571415769289E-005
 gaminv   1.5567446304207067        2000.0000000000000        13.693865507586773        13.693865507586773        14.017000000000001        13.385351824738942        1.0230486046902132        1.0230486069849358       -2.2947226341329952E-009
 gaminv   1.5567447610313228        2000.0000000000000        13.693865552471705        13.693865552471705        14.017000000000001        13.385351838588983        1.0230486069849356        1.0230486069849358       -2.2204460492503131E-016
 gaminv   1.5567448544365050        2000.0000000000000        13.693865584570828        13.693865584570828        14.017000000000001        13.385351848493734        1.0230486086259893        1.0230486069849358        1.6410535152999728E-009
 Changed gamma   1.5567447610313228        1.5567448228113487     
 qinv final   2.1095951805888276        20.000000000000000        2000.0000000000000        343.99516450796136        385.89429838127319        4.3873450997373142        4.5432811424490787        8854.7289299149361        9216.1466095136930       -41.899133873311825       -43.000000000000000        1.1008661266881745     
 qinv final   2.3095951900883178        20.000000000000000        2000.0000000000000        341.75949193577981        385.85959182650572        4.3881198266069932        4.5432811424490804        8825.1288205467426        9215.7321593771921       -44.100099890725915       -43.000000000000000       -1.1000998907259145     
   2.1095951805888276        2.3095951900883178     
 qinv final   2.1095951805888276        20.000000000000000        2000.0000000000000        343.99516450796136        385.89429838127313        4.3873450997373142        4.5432811424490795        8854.7289299149361        9216.1466095136911       -41.899133873311769       -43.000000000000000        1.1008661266882314     
 qinv final   2.3095951900883178        20.000000000000000        2000.0000000000000        341.75949193577981        385.85959182650572        4.3881198266069932        4.5432811424490804        8825.1288205467426        9215.7321593771921       -44.100099890725915       -43.000000000000000       -1.1000998907259145     
 qinv final   2.2096299989609842        20.000000000000000        2000.0000000000000        342.87652162949792        385.87690406576320        4.3877312521025784        4.5432811424490795        8839.9307802809653        9215.9388967162813       -43.000382436265284       -43.000000000000000       -3.8243626528355890E-004
 qinv final   2.2095952472729397        20.000000000000000        2000.0000000000000        342.87691009659807        385.87691009633289        4.3877311174885962        4.5432811424490804        8839.9359235486536        9215.9389687306466       -42.999999999734825       -43.000000000000000        2.6517454898566939E-010
 qinv final   2.2095953798491497        20.000000000000000        2000.0000000000000        342.87690861461226        385.87691007332654        4.3877311180021419        4.5432811424490795        8839.9359039273077        9215.9389684559173       -43.000001458714280       -43.000000000000000       -1.4587142800337460E-006
 Changed q   2.2095952472729397        2.2095951853385727     
 before goinv   228.00000000000000        9.9999997764825821E-003   227.00000002235174        228.99999997764826     
 Changed Go   228.00000000000000        228.00000000000000     
 Changed Gop   1.9404543947183965        1.9404543809310941     
 Changed eta systematics   4.4039403058840065        4.4039401879306146       -23.940000951290127        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: st             7
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        14.017000000000001        14.017000000000001     
 Gamma   6.1780025983892983E-008
 q   6.1934366968330323E-008
 eta   1.1795339194264898E-007
 Ko   5.6962936128002184E-006
 Kop   3.5284837274218717E-008
 Go   0.0000000000000000     
 Gop   1.3787302410861457E-008
st    14.02 305.83   4.031092.17   1.56   2.21 228.00   1.94   4.40
 After Vo block
 Changed Ko adiab   305.83302363906944        305.83302346707478     
 Changed Kop adiabatic   4.0291995782241115        4.0291995792933104     
 gaminv   1.5557447609838253        2000.0000000000000        13.693521931455523        13.693521931455523        14.017000000000001        13.385245799288347        1.0230310400563258        1.0230486069849358       -1.7566928609991095E-005
 gaminv   1.5577447610788202        2000.0000000000000        13.694209240632796        13.694209240632796        14.017000000000001        13.385457880678278        1.0230661784383333        1.0230486069849358        1.7571453397424719E-005
 gaminv   1.5557447609838253        2000.0000000000000        13.693521931455525        13.693521931455525        14.017000000000001        13.385245799288349        1.0230310400563258        1.0230486069849358       -1.7566928609991095E-005
 gaminv   1.5577447610788202        2000.0000000000000        13.694209240632796        13.694209240632796        14.017000000000001        13.385457880678278        1.0230661784383333        1.0230486069849358        1.7571453397424719E-005
 gaminv   1.5567446322608050        2000.0000000000000        13.693865507646693        13.693865507646693        14.017000000000001        13.385351824797516        1.0230486046902130        1.0230486069849358       -2.2947228561776001E-009
 gaminv   1.5567447628714335        2000.0000000000000        13.693865552531632        13.693865552531632        14.017000000000001        13.385351838647555        1.0230486069849358        1.0230486069849358        0.0000000000000000     
 Changed gamma   1.5567447628714335        1.5567447610313228     
 qinv final   2.1095952425231945        20.000000000000000        2000.0000000000000        343.99516395272821        385.89429852667388        4.3873450997170798        4.5432811423235728        8854.7289227892670        9216.1466113772603       -41.899134573945673       -43.000000000000000        1.1008654260543267     
 qinv final   2.3095952520226848        20.000000000000000        2000.0000000000000        341.75949137847465        385.85959197193745        4.3881198265888397        4.5432811423235728        8825.1288133694543        9215.7321612412034       -44.100100593462798       -43.000000000000000       -1.1001005934627983     
   2.1095952425231945        2.3095952520226848     
 qinv final   2.1095952425231945        20.000000000000000        2000.0000000000000        343.99516395272821        385.89429852667388        4.3873450997170798        4.5432811423235728        8854.7289227892670        9216.1466113772603       -41.899134573945673       -43.000000000000000        1.1008654260543267     
 qinv final   2.3095952520226848        20.000000000000000        2000.0000000000000        341.75949137847465        385.85959197193745        4.3881198265888397        4.5432811423235728        8825.1288133694543        9215.7321612412034       -44.100100593462798       -43.000000000000000       -1.1001005934627983     
 qinv final   2.2096299971337312        20.000000000000000        2000.0000000000000        342.87652178597767        385.87690422224409        4.3877312518363913        4.5432811423235728        8839.9307825662636        9215.9388987122002       -43.000382436266420       -43.000000000000000       -3.8243626642042727E-004
 qinv final   2.2095952454456316        20.000000000000000        2000.0000000000000        342.87691025307862        385.87691025281390        4.3877311172224083        4.5432811423235728        8839.9359258339609        9215.9389707265673       -42.999999999735280       -43.000000000000000        2.6471980163478293E-010
 qinv final   2.2095953780218416        20.000000000000000        2000.0000000000000        342.87690877109270        385.87691022980800        4.3877311177359548        4.5432811423235728        8839.9359062126132        9215.9389704518435       -43.000001458715303       -43.000000000000000       -1.4587153032152855E-006
 Changed q   2.2095952454456316        2.2095952472729397     
 before goinv   228.00000000000000        9.9999997764825821E-003   227.00000002235174        228.99999997764826     
 Changed Go   228.00000000000000        228.00000000000000     
 Changed Gop   1.9404543943019896        1.9404543947183965     
 Changed eta systematics   4.4039403023818471        4.4039403058840065       -23.940000951290127        300.00000000000000        1000.0000000000000        0.0000000000000000     
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15565343963743        327.15600999999998     
 Changed Kop adiabatic   4.0166189109204513        4.0166199999999996     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41158999999999        9.9999997764825821E-003   226.41159002235173        228.41158997764825     
 Changed Go   227.41176872936086        227.41158999999999     
 Changed Gop   1.7707806435015090        1.7707800000000000     
 Changed eta systematics   4.5582881171600480        4.5582799999999999       -23.878236665418729        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   8.1171600481155792E-006
 Ko   3.5656036254749779E-004
 Kop   1.0890795483220472E-006
 Go   1.7872936086860136E-004
 Gop   6.4350150896785863E-007
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15574435726177        327.15565343963743     
 Changed Kop adiabatic   4.0166181152104388        4.0166189109204513     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41176872936086        9.9999997764825821E-003   226.41176875171260        228.41176870700912     
 Changed Go   227.41164876202336        227.41176872936086     
 Changed Gop   1.7707808949297834        1.7707806435015090     
 Changed eta systematics   4.5582839641625554        4.5582881171600480       -23.878224068847793        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   4.1529974925680335E-006
 Ko   9.0917624333997082E-005
 Kop   7.9571001254663543E-007
 Go   1.1996733749697341E-004
 Gop   2.5142827442259374E-007
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15581515243935        327.15574435726177     
 Changed Kop adiabatic   4.0166175276699070        4.0166181152104388     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41164876202336        9.9999997764825821E-003   226.41164878437510        228.41164873967162     
 Changed Go   227.41159148620690        227.41164876202336     
 Changed Gop   1.7707809523946605        1.7707808949297834     
 Changed eta systematics   4.5582821062586865        4.5582839641625554       -23.878218054886823        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo           3
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   1.8579038689736649E-006
 Ko   7.0795177578020230E-005
 Kop   5.8754053178233789E-007
 Go   5.7275816459423368E-005
 Gop   5.7464877079027588E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15586742656160        327.15581515243935     
 Changed Kop adiabatic   4.0166170938386614        4.0166175276699070     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41159148620690        9.9999997764825821E-003   226.41159150855864        228.41159146385516     
 Changed Go   227.41156771414083        227.41159148620690     
 Changed Gop   1.7707809238653116        1.7707809523946605     
 Changed eta systematics   4.5582814398185878        4.5582821062586865       -23.878215558819786        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo           4
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   6.6644009866223541E-007
 Ko   5.2274122253948008E-005
 Kop   4.3383124559426278E-007
 Go   2.3772066072069720E-005
 Gop   2.8529348883310490E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15590602500515        327.15586742656160     
 Changed Kop adiabatic   4.0166167735040803        4.0166170938386614     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41156771414083        9.9999997764825821E-003   226.41156773649257        228.41156769178909     
 Changed Go   227.41156041315477        227.41156771414083     
 Changed Gop   1.7707808635176772        1.7707809238653116     
 Changed eta systematics   4.5582813382255321        4.5582814398185878       -23.878214792216220        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo           5
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   1.0159305574575228E-007
 Ko   3.8598443552473327E-005
 Kop   3.2033458108315926E-007
 Go   7.3009860557249340E-006
 Gop   6.0347634445179210E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15593452552827        327.15590602500515     
 Changed Kop adiabatic   4.0166165369737463        4.0166167735040803     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41156041315477        9.9999997764825821E-003   226.41156043550652        228.41156039080303     
 Changed Go   227.41156069743948        227.41156041315477     
 Changed Gop   1.7707807972123555        1.7707808635176772     
 Changed eta systematics   4.5582814793798070        4.5582813382255321       -23.878214822066116        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo           6
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   1.4115427493521793E-007
 Ko   2.8500523114871612E-005
 Kop   2.3653033398574053E-007
 Go   2.8428470955077501E-007
 Gop   6.6305321677617712E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15595556989570        327.15593452552827     
 Changed Kop adiabatic   4.0166163623232451        4.0166165369737463     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41156069743948        9.9999997764825821E-003   226.41156071979123        228.41156067508774     
 Changed Go   227.41156404901241        227.41156069743948     
 Changed Gop   1.7707807362157095        1.7707807972123555     
 Changed eta systematics   4.5582817032716889        4.5582814793798070       -23.878215173981285        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo           7
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.2389188192306619E-007
 Ko   2.1044367429112754E-005
 Kop   1.7465050117237979E-007
 Go   3.3515729285227280E-006
 Gop   6.0996645956379325E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15597110874711        327.15595556989570     
 Changed Kop adiabatic   4.0166162333638837        4.0166163623232451     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41156404901241        9.9999997764825821E-003   226.41156407136415        228.41156402666067     
 Changed Go   227.41156826290967        227.41156404901241     
 Changed Gop   1.7707806845128768        1.7707807362157095     
 Changed eta systematics   4.5582819348341301        4.5582817032716889       -23.878215616440517        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo           8
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.3156244122191083E-007
 Ko   1.5538851414476085E-005
 Kop   1.2895936141177344E-007
 Go   4.2138972560223920E-006
 Gop   5.1702832681854716E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15598258240624        327.15597110874711     
 Changed Kop adiabatic   4.0166161381421972        4.0166162333638837     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41156826290967        9.9999997764825821E-003   226.41156828526141        228.41156824055793     
 Changed Go   227.41157233713631        227.41156826290967     
 Changed Gop   1.7707806426473471        1.7707806845128768     
 Changed eta systematics   4.5582821424874345        4.5582819348341301       -23.878216044234328        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo           9
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.0765330432936935E-007
 Ko   1.1473659128569125E-005
 Kop   9.5221686535751360E-008
 Go   4.0742266378401837E-006
 Gop   4.1865529709639304E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15599105438685        327.15598258240624     
 Changed Kop adiabatic   4.0166160678319098        4.0166161381421972     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41157233713631        9.9999997764825821E-003   226.41157235948805        228.41157231478456     
 Changed Go   227.41157587843850        227.41157233713631     
 Changed Gop   1.7707806096923646        1.7707806426473471     
 Changed eta systematics   4.5582823161157018        4.5582821424874345       -23.878216416071076        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo          10
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   1.7362826731925907E-007
 Ko   8.4719806068278558E-006
 Kop   7.0310287370034530E-008
 Go   3.5413021919339371E-006
 Gop   3.2954982520649878E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15599730997229        327.15599105438685     
 Changed Kop adiabatic   4.0166160159158260        4.0166160678319098     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41157587843850        9.9999997764825821E-003   226.41157590079024        228.41157585608676     
 Changed Go   227.41157878831274        227.41157587843850     
 Changed Gop   1.7707805842284410        1.7707806096923646     
 Changed eta systematics   4.5582824555579178        4.5582823161157018       -23.878216721607885        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo          11
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   1.3944221599615503E-007
 Ko   6.2555854469792394E-006
 Kop   5.1916083876335506E-008
 Go   2.9098742402311473E-006
 Gop   2.5463923636337427E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15600192900513        327.15599730997229     
 Changed Kop adiabatic   4.0166159775817558        4.0166160159158260     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41157878831274        9.9999997764825821E-003   226.41157881066448        228.41157876596100     
 Changed Go   227.41158110024162        227.41157878831274     
 Changed Gop   1.7707805648004662        1.7707805842284410     
 Changed eta systematics   4.5582825647408853        4.5582824555579178       -23.878216964360423        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo          12
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   1.0918296755590973E-007
 Ko   4.6190328362172295E-006
 Kop   3.8334070140422227E-008
 Go   2.3119288812267769E-006
 Gop   1.9427974784491653E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15600533963095        327.15600192900513     
 Changed Kop adiabatic   4.0166159492764457        4.0166159775817558     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41158110024162        9.9999997764825821E-003   226.41158112259336        228.41158107788988     
 Changed Go   227.41158289774592        227.41158110024162     
 Changed Gop   1.7707805501087135        1.7707805648004662     
 Changed eta systematics   4.5582826488036572        4.5582825647408853       -23.878217153098383        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo          13
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   8.4062771854576113E-008
 Ko   3.4106258226529462E-006
 Kop   2.8305310095788627E-008
 Go   1.7975042965190369E-006
 Gop   1.4691752703299699E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15600785798568        327.15600533963095     
 Changed Kop adiabatic   4.0166159283762282        4.0166159492764457     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41158289774592        9.9999997764825821E-003   226.41158292009766        228.41158287539417     
 Changed Go   227.41158427504621        227.41158289774592     
 Changed Gop   1.7707805390687694        1.7707805501087135     
 Changed eta systematics   4.5582827127807608        4.5582826488036572       -23.878217297714919        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo          14
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   6.3977103614831776E-008
 Ko   2.5183547336382617E-006
 Kop   2.0900217556629741E-008
 Go   1.3773002933703538E-006
 Gop   1.1039944070034835E-008
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15600971750160        327.15600785798568     
 Changed Kop adiabatic   4.0166159129438164        4.0166159283762282     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41158427504621        9.9999997764825821E-003   226.41158429739795        228.41158425269447     
 Changed Go   227.41158531972999        227.41158427504621     
 Changed Gop   1.7707805308108808        1.7707805390687694     
 Changed eta systematics   4.5582827610758079        4.5582827127807608       -23.878217407406723        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo          15
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   4.8295047072599573E-008
 Ko   1.8595159190226696E-006
 Kop   1.5432411792914991E-008
 Go   1.0446837848121504E-006
 Gop   8.2578885951534176E-009
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15601109054086        327.15600971750160     
 Changed Kop adiabatic   4.0166159015487493        4.0166159129438164     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41158531972999        9.9999997764825821E-003   226.41158534208174        228.41158529737825     
 Changed Go   227.41158610644635        227.41158531972999     
 Changed Gop   1.7707805246546087        1.7707805308108808     
 Changed eta systematics   4.5582827973203672        4.5582827610758079       -23.878217490011941        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo          16
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   3.6244559353804107E-008
 Ko   1.3730392538491287E-006
 Kop   1.1395067112118795E-008
 Go   7.8671635606042400E-007
 Gop   6.1562721587193892E-009
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15601210437325        327.15601109054086     
 Changed Kop adiabatic   4.0166158931347944        4.0166159015487493     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41158610644635        9.9999997764825821E-003   226.41158612879809        228.41158608409461     
 Changed Go   227.41158669583635        227.41158610644635     
 Changed Gop   1.7707805200763773        1.7707805246546087     
 Changed eta systematics   4.5582828244062092        4.5582827973203672       -23.878217551897894        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: apbo          17
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        13.670000000000000        13.670000000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.7085842013718775E-008
 Ko   1.0138323887076695E-006
 Kop   8.4139548661710251E-009
 Go   5.8938999814017734E-007
 Gop   4.5782313495834615E-009
apbo  13.67 327.16   4.021128.95   1.56   2.21 227.41   1.77   4.56
 After Vo block
 Changed Ko adiab   327.15601285297237        327.15601210437325     
 Changed Kop adiabatic   4.0166158869220503        4.0166158931347944     
 Changed gamma isochemical   1.5567447628714335      apbo                                                                            st                                                                              
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          35          32          32   8.7510519553115831        8.7510519553115831     
 ispec,jspec,jspecsave,vodiff,vodmin          35          33          33   6.9870000000000001        6.9870000000000001     
 ispec,jspec,jspecsave,vodiff,vodmin          35          34          34  0.34700000000000131       0.34700000000000131     
 Changed q isochemical   2.2095952454456316      apbo                                                                            st                                                                              
 before goinv   227.41158669583635        9.9999997764825821E-003   226.41158671818809        228.41158667348461     
 Changed Go   227.41158713573299        227.41158669583635     
 Changed Gop   1.7707805166778692        1.7707805200763773     
 Changed eta systematics   4.5582828445850243        4.5582828244062092       -23.878217598087048        300.00000000000000        1000.0000000000000        0.0000000000000000     
mgpv  24.45 250.55   4.13 880.02   1.54   0.84 172.90   1.73   1.66
 After Vo block
 Changed Ko adiab   250.54689265075186        250.54689999999999     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.79708543113662123     
 Changed Kop compress   4.1349882058610268        4.1349900000000002     
 gaminv   1.5412199999525025        2000.0000000000000        23.367285634707162        23.367285634707162        24.445000000000000        22.478352196790365        1.0395462011687728        1.0395739855983988       -2.7784429625921092E-005
 gaminv   1.5432200000474974        2000.0000000000000        23.368538198078380        23.368538198078380        24.445000000000000        22.478352196790365        1.0396019242644985        1.0395739855983988        2.7938666099736054E-005
 gaminv   1.5412199999525025        2000.0000000000000        23.367285634707162        23.367285634707162        24.445000000000000        22.478352196790361        1.0395462011687731        1.0395739855983988       -2.7784429625699048E-005
 gaminv   1.5432200000474974        2000.0000000000000        23.368538198078380        23.368538198078380        24.445000000000000        22.478352196790365        1.0396019242644985        1.0395739855983988        2.7938666099736054E-005
 gaminv   1.5422172320905836        2000.0000000000000        23.367910143450914        23.367910143450914        24.445000000000000        22.478352196790361        1.0395739838433340        1.0395739855983988       -1.7550647601893843E-009
 gaminv   1.5422173246241142        2000.0000000000000        23.367910201402950        23.367910201402950        24.445000000000000        22.478352196790361        1.0395739864214606        1.0395739855983988        8.2306184090441548E-010
 Changed gamma   1.5422173246241142        1.5422199999999999     
 qinv final  0.74087999525025483        36.799999999999997        3500.0000000000000        346.14184386584475        379.12775237122389        4.2942867352815464        4.5044941273777006        8978.0399103219552        9174.2332062559108       -57.342950138681886       -58.599999999999966        1.2570498613180803     
 qinv final  0.94088000474974509        36.799999999999997        3500.0000000000000        342.44658846412983        378.11649815831629        4.2970347287455208        4.5060377842123556        8927.1326928315575        9160.4202689053109       -59.847184053467743       -58.599999999999966       -1.2471840534677767     
  0.74087999525025483       0.94088000474974509     
 qinv final  0.74087999525025483        36.799999999999997        3500.0000000000000        346.14184386584475        379.12775237122389        4.2942867352815464        4.5044941273777006        8978.0399103219552        9174.2332062559108       -57.342950138681886       -58.599999999999966        1.2570498613180803     
 qinv final  0.94088000474974509        36.799999999999997        3500.0000000000000        342.44658846412983        378.11649815831629        4.2970347287455208        4.5060377842123556        8927.1326928315575        9160.4202689053109       -59.847184053467743       -58.599999999999966       -1.2471840534677767     
 qinv final  0.84127396512684582        36.799999999999997        3500.0000000000000        344.28434778749636        378.62075502387432        4.2956577893911980        4.5052672076304399        8952.4891069980513        9167.3102939767759       -58.604971602387195       -58.599999999999966       -4.9716023872292681E-003
 qinv final  0.84087689067423310        36.799999999999997        3500.0000000000000        344.29168422495081        378.62276273439699        4.2956523336441652        4.5052641428942453        8952.5901770241780        9167.3377177413950       -58.599999786084368       -58.599999999999966        2.1391559812400374E-007
 qinv final  0.84087694112734479        36.799999999999997        3500.0000000000000        344.29168329276263        378.62276247929407        4.2956523343373663        4.5052641432836538        8952.5901641820165        9167.3377142568916       -58.600000417823480       -58.599999999999966       -4.1782351445363020E-007
 Changed q  0.84087689067423310       0.84087999999999996     
 before goinv   172.90000000000001        9.9999997764825821E-003   171.90000002235175        173.89999997764826     
 Changed Go   172.90000000000001        172.90000000000001     
 Changed Gop   1.7325910612200865        1.7325900000000001     
 Changed eta   1.6557325931326456        1.6557299999999999       -39.700000000000017        3500.0000000000000        36.799999999999997     
 Looping back for species.  Differences: mgpv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        24.445000000000000        24.445000000000000     
 Gamma   2.6753758857189780E-006
 q   3.1093257668590724E-006
 eta   2.5931326457229176E-006
 Ko   7.3492481362791295E-006
 Kop   1.7941389733877600E-006
 Go   0.0000000000000000     
 Gop   1.0612200864734689E-006
mgpv  24.45 250.55   4.13 880.02   1.54   0.84 172.90   1.73   1.66
 After Vo block
 Changed Ko adiab   250.54690116183144        250.54689265075186     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.79708543113662123     
 Changed Kop compress   4.1349879237838376        4.1349882058610268     
 gaminv   1.5412173245766168        2000.0000000000000        23.367284106605812        23.367284106605812        24.445000000000000        22.478352231919271        1.0395461315631604        1.0395739855983988       -2.7854035238306096E-005
 gaminv   1.5432173246716117        2000.0000000000000        23.368536669566566        23.368536669566566        24.445000000000000        22.478352231919271        1.0396018546405388        1.0395739855983988        2.7869042140027389E-005
 gaminv   1.5412173245766168        2000.0000000000000        23.367284106605808        23.367284106605808        24.445000000000000        22.478352231919274        1.0395461315631602        1.0395739855983988       -2.7854035238528141E-005
 gaminv   1.5432173246716117        2000.0000000000000        23.368536669566566        23.368536669566566        24.445000000000000        22.478352231919271        1.0396018546405388        1.0395739855983988        2.7869042140027389E-005
 gaminv   1.5422170553119563        2000.0000000000000        23.367910179969805        23.367910179969805        24.445000000000000        22.478352231919274        1.0395739838433244        1.0395739855983988       -1.7550743081073961E-009
 gaminv   1.5422171478454763        2000.0000000000000        23.367910237921830        23.367910237921830        24.445000000000000        22.478352231919271        1.0395739864214506        1.0395739855983988        8.2305184889719385E-010
 Changed gamma   1.5422171478454763        1.5422173246241142     
 qinv final  0.74087688592448797        36.799999999999997        3500.0000000000000        346.14190849761320        379.12776963743823        4.2942867275311514        4.5044941082021923        8978.0407566156937        9174.2334346893404       -57.342899698077360       -58.599999999999966        1.2571003019226055     
 qinv final  0.94087689542397823        36.799999999999997        3500.0000000000000        342.44665321602650        378.11651552507487        4.2970347200103056        4.5060377647108476        8927.1335459037073        9160.4204990952749       -59.847133767436674       -58.599999999999966       -1.2471337674367078     
  0.74087688592448797       0.94087689542397823     
 qinv final  0.74087688592448797        36.799999999999997        3500.0000000000000        346.14190849761280        379.12776963743823        4.2942867275311514        4.5044941082021932        8978.0407566156900        9174.2334346893404       -57.342899698077758       -58.599999999999966        1.2571003019222076     
 qinv final  0.94087689542397823        36.799999999999997        3500.0000000000000        342.44665321602690        378.11651552507533        4.2970347200103056        4.5060377647108485        8927.1335459037127        9160.4204990952785       -59.847133767436674       -58.599999999999966       -1.2471337674367078     
 qinv final  0.84127487803016088        36.799999999999997        3500.0000000000000        344.28433816599534        378.62075200271670        4.2956578364177735        4.5052672193370551        8952.4889328996796        9167.3102454917644       -58.604971598425152       -58.599999999999966       -4.9715984251861300E-003
 qinv final  0.84087780379167809        36.799999999999997        3500.0000000000000        344.29167459842813        378.62275971215541        4.2956523806729683        4.5052641546025889        8952.5900028588330        9167.3376692415441       -58.599999786084311       -58.599999999999966        2.1391565496742260E-007
 qinv final  0.84087785424484451        36.799999999999997        3500.0000000000000        344.29167366623881        378.62275945705267        4.2956523813661711        4.5052641549919974        8952.5899900166569        9167.3376657570425       -58.600000417824504       -58.599999999999966       -4.1782453763516969E-007
 Changed q  0.84087780379167809       0.84087689067423310     
 before goinv   172.90000000000001        9.9999997764825821E-003   171.90000002235175        173.89999997764826     
 Changed Go   172.90000000000001        172.90000000000001     
 Changed Gop   1.7325910362804056        1.7325910612200865     
 Changed eta   1.6557329369710094        1.6557325931326456       -39.700000000000017        3500.0000000000000        36.799999999999997     
 Looping back for species.  Differences: mgpv           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        24.445000000000000        24.445000000000000     
 Gamma   1.7677863795029225E-007
 q   9.1311744498945302E-007
 eta   3.4383836378104604E-007
 Ko   8.5110795851051080E-006
 Kop   2.8207718916206659E-007
 Go   0.0000000000000000     
 Gop   2.4939680987046131E-008
mgpv  24.45 250.55   4.13 880.02   1.54   0.84 172.90   1.73   1.66
 After Vo block
 Changed Ko adiab   250.54690172421061        250.54690116183144     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.79708543113662123     
 Changed Kop compress   4.1349879051452660        4.1349879237838376     
 gaminv   1.5412171477979788        2000.0000000000000        23.367283962205580        23.367283962205580        24.445000000000000        22.478352234240454        1.0395461250318450        1.0395739855983988       -2.7860566553794541E-005
 gaminv   1.5432171478929737        2000.0000000000000        23.368536525128025        23.368536525128025        24.445000000000000        22.478352234240450        1.0396018481075133        1.0395739855983988        2.7862509114573442E-005
 gaminv   1.5412171477979788        2000.0000000000000        23.367283962205580        23.367283962205580        24.445000000000000        22.478352234240454        1.0395461250318450        1.0395739855983988       -2.7860566553794541E-005
 gaminv   1.5432171478929737        2000.0000000000000        23.368536525128025        23.368536525128025        24.445000000000000        22.478352234240450        1.0396018481075133        1.0395739855983988        2.7862509114573442E-005
 gaminv   1.5422171129844990        2000.0000000000000        23.367910182382840        23.367910182382840        24.445000000000000        22.478352234240454        1.0395739838433244        1.0395739855983988       -1.7550743081073961E-009
 gaminv   1.5422172055180225        2000.0000000000000        23.367910240334862        23.367910240334862        24.445000000000000        22.478352234240454        1.0395739864214502        1.0395739855983988        8.2305140480798400E-010
 Changed gamma   1.5422172055180225        1.5422171478454763     
 qinv final  0.74087779904193296        36.799999999999997        3500.0000000000000        346.14189132660806        379.12776494705327        4.2942867268122864        4.5044941108582766        8978.0405346810530        9174.2333752349532       -57.342913272674423       -58.599999999999966        1.2570867273255431     
 qinv final  0.94087780854142322        36.799999999999997        3500.0000000000000        342.44663596518768        378.11651078812758        4.2970347195356702        4.5060377674555010        8927.1333215434024        9160.4204389257375       -59.847147328947926       -58.599999999999966       -1.2471473289479604     
  0.74087779904193296       0.94087780854142322     
 qinv final  0.74087779904193296        36.799999999999997        3500.0000000000000        346.14189132660761        379.12776494705292        4.2942867268122864        4.5044941108582757        8978.0405346810476        9174.2333752349496       -57.342913272674480       -58.599999999999966        1.2570867273254862     
 qinv final  0.94087780854142322        36.799999999999997        3500.0000000000000        342.44663596518768        378.11651078812758        4.2970347195356702        4.5060377674555010        8927.1333215434024        9160.4204389257375       -59.847147328947926       -58.599999999999966       -1.2471473289479604     
 qinv final  0.84127470754053979        36.799999999999997        3500.0000000000000        344.28434097534983        378.62075276807940        4.2956578209311402        4.5052672136737151        8952.4889855634410        9167.3102605192689       -58.604971599510634       -58.599999999999966       -4.9715995106680566E-003
 qinv final  0.84087763324745290        36.799999999999997        3500.0000000000000        344.29167740917256        378.62276047783365        4.2956523651858181        4.5052641489388066        8952.5900555410426        9167.3376842733178       -58.599999786085107       -58.599999999999966        2.1391485915955855E-007
 qinv final  0.84087768370060911        36.799999999999997        3500.0000000000000        344.29167647698347        378.62276022273107        4.2956523658790209        4.5052641493282151        8952.5900426988683        9167.3376807888199       -58.600000417825242       -58.599999999999966       -4.1782527659961488E-007
 Changed q  0.84087763324745290       0.84087780379167809     
 before goinv   172.90000000000001        9.9999997764825821E-003   171.90000002235175        173.89999997764826     
 Changed Go   172.90000000000001        172.90000000000001     
 Changed Gop   1.7325910346324882        1.7325910362804056     
 Changed eta   1.6557328314723478        1.6557329369710094       -39.700000000000017        3500.0000000000000        36.799999999999997     
fepv  25.32 270.58   4.01 746.56   1.54   0.84 130.02   1.37   2.09
 After Vo block
   260.58255022351744        280.58254977648261     
 Changed Ko isoth   270.58255000000014        270.58255000000003     
 Changed Kop isoth one   4.0099999999999998        4.0099999999999998     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   130.02098000000001        9.9999997764825821E-003   129.02098002235175        131.02097997764827     
 Changed Go   130.02099791485929        130.02098000000001     
 Changed Gop   1.3725438967953791        1.3725400000000001     
 Changed eta systematics   2.0941047815985940        2.0941000000000001       -13.652205323550104        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fepv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        25.321000000000002        25.321000000000002     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   4.7815985939614336E-006
 Ko   1.1368683772161603E-013
 Kop   0.0000000000000000     
 Go   1.7914859284928752E-005
 Gop   3.8967953790436383E-006
fepv  25.32 270.58   4.01 746.56   1.54   0.84 130.02   1.37   2.09
 After Vo block
   260.58255022351756        280.58254977648272     
 Changed Ko isoth   270.58255000000014        270.58255000000014     
 Changed Kop isoth one   4.0099999999999998        4.0099999999999998     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   130.02099791485929        9.9999997764825821E-003   129.02099793721104        131.02099789250755     
 Changed Go   130.02097717568091        130.02099791485929     
 Changed Gop   1.3725438995506849        1.3725438967953791     
 Changed eta systematics   2.0941041084935725        2.0941047815985940       -13.652203145936285        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fepv           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        25.321000000000002        25.321000000000002     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   6.7310502149808826E-007
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   2.0739178381745660E-005
 Gop   2.7553057613260989E-009
fepv  25.32 270.58   4.01 746.56   1.54   0.84 130.02   1.37   2.09
 After Vo block
   260.58255022351756        280.58254977648272     
 Changed Ko isoth   270.58255000000014        270.58255000000014     
 Changed Kop isoth one   4.0099999999999998        4.0099999999999998     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   130.02097717568091        9.9999997764825821E-003   129.02097719803265        131.02097715332917     
 Changed Go   130.02097844898699        130.02097717568091     
 Changed Gop   1.3725439040411123        1.3725438995506849     
 Changed eta systematics   2.0941041428436837        2.0941041084935725       -13.652203279633429        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fepv           3
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        25.321000000000002        25.321000000000002     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   3.4350111199898947E-008
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   1.2733060827940790E-006
 Gop   4.4904273632795366E-009
fepv  25.32 270.58   4.01 746.56   1.54   0.84 130.02   1.37   2.09
 After Vo block
   260.58255022351756        280.58254977648272     
 Changed Ko isoth   270.58255000000014        270.58255000000014     
 Changed Kop isoth one   4.0099999999999998        4.0099999999999998     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   130.02097844898699        9.9999997764825821E-003   129.02097847133874        131.02097842663525     
 Changed Go   130.02097837017945        130.02097844898699     
 Changed Gop   1.3725439038529335        1.3725439040411123     
 Changed eta systematics   2.0941041405833265        2.0941041428436837       -13.652203271358639        300.00000000000000        1000.0000000000000        0.0000000000000000     
alpv  24.94 242.40   4.10 858.27   1.54   0.84 169.20   1.56   2.28
 After Vo block
   232.40000022351742        252.39999977648259     
 Changed Ko isoth   242.40000000000001        242.40000000000001     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   169.19962000000001        9.9999997764825821E-003   168.19962002235175        170.19961997764827     
 Changed Go   169.20011699929290        169.19962000000001     
 Changed Gop   1.5570336410161916        1.5570299999999999     
 Changed eta   2.2751112385964025        2.2751000000000001       -58.000000000000000        4000.0000000000000        136.00000000000000     
 Looping back for species.  Differences: alpv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        24.943999999999999        24.943999999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   1.1238596402396439E-005
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   4.9699929289204192E-004
 Gop   3.6410161916577977E-006
alpv  24.94 242.40   4.10 858.27   1.54   0.84 169.20   1.56   2.28
 After Vo block
   232.40000022351742        252.39999977648259     
 Changed Ko isoth   242.40000000000001        242.40000000000001     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   169.20011699929290        9.9999997764825821E-003   168.20011702164464        170.20011697694116     
 Changed Go   169.19972535850459        169.20011699929290     
 Changed Gop   1.5570344009512589        1.5570336410161916     
 Changed eta   2.2751048206059687        2.2751112385964025       -58.000000000000000        4000.0000000000000        136.00000000000000     
 Looping back for species.  Differences: alpv           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        24.943999999999999        24.943999999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   6.4179904337713367E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.9164078830822291E-004
 Gop   7.5993506731819593E-007
alpv  24.94 242.40   4.10 858.27   1.54   0.84 169.20   1.56   2.28
 After Vo block
   232.40000022351742        252.39999977648259     
 Changed Ko isoth   242.40000000000001        242.40000000000001     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   169.19972535850459        9.9999997764825821E-003   168.19972538085634        170.19972533615285     
 Changed Go   169.19964361715734        169.19972535850459     
 Changed Gop   1.5570345595611841        1.5570344009512589     
 Changed eta   2.2751034810744359        2.2751048206059687       -58.000000000000000        4000.0000000000000        136.00000000000000     
 Looping back for species.  Differences: alpv           3
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        24.943999999999999        24.943999999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   1.3395315328068591E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   8.1741347258912356E-005
 Gop   1.5860992519378669E-007
alpv  24.94 242.40   4.10 858.27   1.54   0.84 169.20   1.56   2.28
 After Vo block
   232.40000022351742        252.39999977648259     
 Changed Ko isoth   242.40000000000001        242.40000000000001     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   169.19964361715734        9.9999997764825821E-003   168.19964363950908        170.19964359480559     
 Changed Go   169.19962655650374        169.19964361715734     
 Changed Gop   1.5570345926654707        1.5570345595611841     
 Changed eta   2.2751032014939749        2.2751034810744359       -58.000000000000000        4000.0000000000000        136.00000000000000     
 Looping back for species.  Differences: alpv           4
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        24.943999999999999        24.943999999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.7958046100451384E-007
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   1.7060653590306174E-005
 Gop   3.3104286645269099E-008
alpv  24.94 242.40   4.10 858.27   1.54   0.84 169.20   1.56   2.28
 After Vo block
   232.40000022351742        252.39999977648259     
 Changed Ko isoth   242.40000000000001        242.40000000000001     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   169.19962655650374        9.9999997764825821E-003   168.19962657885549        170.19962653415200     
 Changed Go   169.19962299568763        169.19962655650374     
 Changed Gop   1.5570345995748354        1.5570345926654707     
 Changed eta   2.2751031431413096        2.2751032014939749       -58.000000000000000        4000.0000000000000        136.00000000000000     
 Looping back for species.  Differences: alpv           5
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        24.943999999999999        24.943999999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   5.8352665366356860E-008
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.5608161113032111E-006
 Gop   6.9093646359874583E-009
alpv  24.94 242.40   4.10 858.27   1.54   0.84 169.20   1.56   2.28
 After Vo block
   232.40000022351742        252.39999977648259     
 Changed Ko isoth   242.40000000000001        242.40000000000001     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   169.19962299568763        9.9999997764825821E-003   168.19962301803938        170.19962297333589     
 Changed Go   169.19962225249154        169.19962299568763     
 Changed Gop   1.5570346010169238        1.5570345995748354     
 Changed eta   2.2751031309622305        2.2751031431413096       -58.000000000000000        4000.0000000000000        136.00000000000000     
hepv  30.87 135.00   4.00 613.90   1.54   0.84  88.77   1.73   0.67
 After Vo block
   125.00000022351742        144.99999977648258     
 Changed Ko isoth   135.00000000000000        135.00000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 Changed G systematics   88.766582910953332     
 Changed Gop intraphase   1.7325910346324882     
 Changed eta systematics  0.66524420461196154       0.66524000000000005       -9.3204915760131435        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: hepv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        30.866849999999999        30.866849999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   4.2046119614891353E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   2.9109533272730914E-006
 Gop   0.0000000000000000     
hepv  30.87 135.00   4.00 613.90   1.54   0.84  88.77   1.73   0.67
 After Vo block
   125.00000022351742        144.99999977648258     
 Changed Ko isoth   135.00000000000000        135.00000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 Changed G systematics   88.766582910953332     
 Changed Gop intraphase   1.7325910346324882     
 Changed eta systematics  0.66524420461196154       0.66524420461196154       -9.3204915760131435        300.00000000000000        1000.0000000000000        0.0000000000000000     
hlpv  27.52 204.25   4.10 725.62   1.54   0.84 164.00   1.73   3.03
 After Vo block
   194.25100022351742        214.25099977648259     
 Changed Ko isoth   204.25100000000003        204.25100000000000     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 Changed G systematics   163.99600196932283     
 Changed Gop intraphase   1.7325910346324882     
 Changed eta systematics   3.0318046334032838        3.0318000000000001       -17.219580891023540        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: hlpv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        27.520900000000001        27.520900000000001     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   4.6334032837158645E-006
 Ko   2.8421709430404007E-014
 Kop   0.0000000000000000     
 Go   1.9693228239248128E-006
 Gop   0.0000000000000000     
hlpv  27.52 204.25   4.10 725.62   1.54   0.84 164.00   1.73   3.03
 After Vo block
   194.25100022351745        214.25099977648262     
 Changed Ko isoth   204.25100000000000        204.25100000000003     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 Changed G systematics   163.99600196932283     
 Changed Gop intraphase   1.7325910346324882     
 Changed eta systematics   3.0318046334032838        3.0318046334032838       -17.219580891023540        300.00000000000000        1000.0000000000000        0.0000000000000000     
fapv  27.26 223.33   4.10 755.38   1.54   0.84 150.04   1.73   2.56
 volinv          41   0.0000000000000000        300.00000000000000        27.250390000223518        27.250390000223515        27.260394999999999       -1.0004999776484169E-002
 volinv          41   0.0000000000000000        300.00000000000000        27.270389999776484        27.270389999776487        27.260394999999999        9.9949997764881005E-003
 volinv          41   0.0000000000000000        300.00000000000000        27.250390000223518        27.250390000223515        27.260394999999999       -1.0004999776484169E-002
 volinv          41   0.0000000000000000        300.00000000000000        27.270389999776484        27.270389999776487        27.260394999999999        9.9949997764881005E-003
 volinv          41   0.0000000000000000        300.00000000000000        27.260394999999999        27.260395000000003        27.260394999999999        3.5527136788005009E-015
 volinv          41   0.0000000000000000        300.00000000000000        27.260393364375858        27.260393364375858        27.260394999999999       -1.6356241410164785E-006
 Changed Vo   27.260394999999999        27.260390000000001     
 After Vo block
   213.32550022351742        233.32549977648259     
 Changed Ko isoth   223.32550000000003        223.32550000000001     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed theta cal   755.38126148194544        755.38117000000000       -0.0000000000000000        221.92966543372285        221.92965032961229        1.5104110559605033E-005   0.0000000000000000        1000.0000000000000      fapv                                                                            
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 Changed G systematics   150.04209163411599     
 Changed Gop intraphase   1.7325910346324882     
 Changed eta systematics   2.5550506495180070        2.5550500000000000       -15.754420247606570        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fapv           1
 Theta   9.1481945446503232E-005
 Vo   4.9999999980343546E-006   27.260394999999999        27.260390000000001     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   6.4951800693435757E-007
 Ko   2.8421709430404007E-014
 Kop   0.0000000000000000     
 Go   1.6341159891908319E-006
 Gop   0.0000000000000000     
fapv  27.26 223.33   4.10 755.38   1.54   0.84 150.04   1.73   2.56
 After Vo block
   213.32550022351745        233.32549977648262     
 Changed Ko isoth   223.32549999999998        223.32550000000003     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed theta cal   755.38117092391917        755.38126148194544       -0.0000000000000000        221.92963537804528        221.92965032961229       -1.4951567010257349E-005   0.0000000000000000        1000.0000000000000      fapv                                                                            
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 Changed G systematics   150.04209163411599     
 Changed Gop intraphase   1.7325910346324882     
 Changed eta systematics   2.5550505445182266        2.5550506495180070       -15.754420247606570        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fapv           2
 Theta   9.0558026272447023E-005
 Vo   0.0000000000000000        27.260394999999999        27.260394999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   1.0499978042588509E-007
 Ko   5.6843418860808015E-014
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
fapv  27.26 223.33   4.10 755.38   1.54   0.84 150.04   1.73   2.56
 After Vo block
   213.32550022351739        233.32549977648256     
 Changed Ko isoth   223.32550000000001        223.32549999999998     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed theta cal   755.38116904587719        755.38117092391917       -0.0000000000000000        221.92965001953849        221.92965032961229       -3.1007380130176898E-007   0.0000000000000000        1000.0000000000000      fapv                                                                            
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 Changed G systematics   150.04209163411599     
 Changed Gop intraphase   1.7325910346324882     
 Changed eta systematics   2.5550505423406373        2.5550505445182266       -15.754420247606570        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fapv           3
 Theta   1.8780419850372709E-006
 Vo   0.0000000000000000        27.260394999999999        27.260394999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.1775892200537328E-009
 Ko   2.8421709430404007E-014
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
fapv  27.26 223.33   4.10 755.38   1.54   0.84 150.04   1.73   2.56
 After Vo block
   213.32550022351742        233.32549977648259     
 Changed Ko isoth   223.32550000000003        223.32550000000001     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed theta cal   755.38116900692944        755.38116904587719       -0.0000000000000000        221.92965032318182        221.92965032961229       -6.4304686020477675E-009   0.0000000000000000        1000.0000000000000      fapv                                                                            
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 Changed G systematics   150.04209163411599     
 Changed Gop intraphase   1.7325910346324882     
 Changed eta systematics   2.5550505422955219        2.5550505423406373       -15.754420247606570        300.00000000000000        1000.0000000000000        0.0000000000000000     
flpv  24.97 270.58   4.01 692.39   1.54   0.84 130.34   1.37   1.99
 After Vo block
   260.58255022351744        280.58254977648261     
 Changed Ko isoth   270.58255000000003        270.58255000000003     
 Changed Kop isoth one   4.0099999999999998        4.0099999999999998     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   130.33705000000000        9.9999997764825821E-003   129.33705002235175        131.33704997764826     
 Changed Go   130.33705761278287        130.33705000000000     
 Changed Gop   1.3741096364527936        1.3741099999999999     
 Changed eta systematics   1.9934448533738367        1.9934400000000001       -13.685391593150783        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: flpv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        24.969999999999999        24.969999999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   4.8533738365996726E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   7.6127828663175023E-006
 Gop   3.6354720633902105E-007
flpv  24.97 270.58   4.01 692.39   1.54   0.84 130.34   1.37   1.99
 After Vo block
   260.58255022351744        280.58254977648261     
 Changed Ko isoth   270.58255000000003        270.58255000000003     
 Changed Kop isoth one   4.0099999999999998        4.0099999999999998     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   130.33705761278287        9.9999997764825821E-003   129.33705763513461        131.33705759043113     
 Changed Go   130.33704959336532        130.33705761278287     
 Changed Gop   1.3741096026284954        1.3741096364527936     
 Changed eta systematics   1.9934446519955369        1.9934448533738367       -13.685390751111905        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: flpv           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        24.969999999999999        24.969999999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.0137829981337063E-007
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   8.0194175495762465E-006
 Gop   3.3824298251161622E-008
flpv  24.97 270.58   4.01 692.39   1.54   0.84 130.34   1.37   1.99
 After Vo block
   260.58255022351744        280.58254977648261     
 Changed Ko isoth   270.58255000000003        270.58255000000003     
 Changed Kop isoth one   4.0099999999999998        4.0099999999999998     
 Changed gamma intraphase   1.5422172055180225     
 Changed q intraphase  0.84087763324745290     
 before goinv   130.33704959336532        9.9999997764825821E-003   129.33704961571706        131.33704957101358     
 Changed Go   130.33705006967648        130.33704959336532     
 Changed Gop   1.3741096036053915        1.3741096026284954     
 Changed eta systematics   1.9934446655002784        1.9934446519955369       -13.685390801124580        300.00000000000000        1000.0000000000000        0.0000000000000000     
mppv  23.53 292.00   3.74 941.50   1.77   2.05 171.14   1.85   1.29
 After Vo block
   282.00000022351742        301.99999977648258     
 Changed Ko isoth   292.00000000000000        292.00000000000000     
 Changed Kop isoth one   3.7400000000000002        3.7400000000000002     
 WARNING: Volume failed for logical reasons   0.0000000000000000        9.9999997473787516E-006          43  -2.0000000000000000        23.525200000000002     
 gaminv   1.7685799999525025        1651.0000000000000        18.213021323466499        18.213021323466499        23.525200000000002        18.212591762191050        1.0000235859498230        1.0000236002784821       -1.4328659148077350E-008
 gaminv   1.7705800000474974        1651.0000000000000        18.213294298200125        18.213294298200125        23.525200000000002        18.212864209400376        1.0000236145613783        1.0000236002784821        1.4282896199091510E-008
 gaminv   1.7685799999525025        1651.0000000000000        18.213021323466499        18.213021323466499        23.525200000000002        18.212591762191046        1.0000235859498232        1.0000236002784821       -1.4328658926032745E-008
 gaminv   1.7705800000474974        1651.0000000000000        18.213294298200125        18.213294298200125        23.525200000000002        18.212864209400376        1.0000236145613783        1.0000236002784821        1.4282896199091510E-008
 gaminv   1.7695815994492055        1651.0000000000000        18.213158054590249        18.213158054590249        23.525200000000002        18.212728229097213        1.0000236002803988        1.0000236002784821        1.9166890297128703E-012
 gaminv   1.7695814654690727        1651.0000000000000        18.213158036303671        18.213158036303671        23.525200000000002        18.212728210845970        1.0000236002784824        1.0000236002784821        2.2204460492503131E-016
 gaminv   1.7695813592936886        1651.0000000000000        18.213158021812085        18.213158021812085        23.525200000000002        18.212728196382390        1.0000236002769634        1.0000236002784821       -1.5187850976872141E-012
 Changed gamma   1.7695814654690727        1.7695799999999999     
 qinv final   1.9463099952502549        125.00000000000000        3500.0000000000000        661.22079546950192        692.88800447793471        5.3406240667628273        5.4805110919190900        11126.978467193565        11244.003984769564       -31.667209008432792       -32.220000000000027       0.55279099156723532     
 qinv final   2.1463100047497452        125.00000000000000        3500.0000000000000        659.50828089115441        692.29096913492674        5.3468959279256234        5.4825653128507508        11106.040706996613        11237.052919719383       -32.782688243772327       -32.220000000000027      -0.56268824377229976     
   1.9463099952502549        2.1463100047497452     
 qinv final   1.9463099952502549        125.00000000000000        3500.0000000000000        661.22079546950192        692.88800447793517        5.3406240667628273        5.4805110919190909        11126.978467193565        11244.003984769568       -31.667209008433247       -32.220000000000027       0.55279099156678058     
 qinv final   2.1463100047497452        125.00000000000000        3500.0000000000000        659.50828089115441        692.29096913492674        5.3468959279256234        5.4825653128507508        11106.040706996613        11237.052919719383       -32.782688243772327       -32.220000000000027      -0.56268824377229976     
 qinv final   2.0454227353730969        125.00000000000000        3500.0000000000000        660.38141343539860        692.59647474483575        5.3437114740271783        5.4815210773818706        11116.700882265170        11240.602602826177       -32.215061309437147       -32.220000000000027        4.9386905628807654E-003
 qinv final   2.0463084272379048        125.00000000000000        3500.0000000000000        660.37383137300412        692.59383155289970        5.3437392453137127        5.4815301732267425        11116.608178292809        11240.571827655114       -32.220000179895578       -32.220000000000027       -1.7989555090025533E-007
 qinv final   2.0463083044589037        125.00000000000000        3500.0000000000000        660.37383242416752        692.59383191936001        5.3437392414636928        5.4815301719657441        11116.608191144960        11240.571831921798       -32.219999495192496       -32.220000000000027        5.0480753088777419E-007
 Changed q   2.0463084272379048        2.0463100000000001     
 before goinv   171.13587999999999        9.9999997764825821E-003   170.13588002235173        172.13587997764824     
 Changed Go   171.13627233034941        171.13587999999999     
 Changed Gop   1.8518817890733190        1.8518800000000000     
 Changed eta   1.2881082866287115        1.2881000000000000       -33.780000000000030        3500.0000000000000        125.00000000000000     
 Looping back for species.  Differences: mppv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        23.525200000000002        23.525200000000002     
 Gamma   1.4654690727589070E-006
 q   1.5727620952254995E-006
 eta   8.2866287114402581E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.9233034942753875E-004
 Gop   1.7890733190473185E-006
mppv  23.53 292.00   3.74 941.50   1.77   2.05 171.14   1.85   1.29
 After Vo block
   282.00000022351742        301.99999977648258     
 Changed Ko isoth   292.00000000000000        292.00000000000000     
 Changed Kop isoth one   3.7400000000000002        3.7400000000000002     
 WARNING: Volume failed for logical reasons   0.0000000000000000        9.9999997473787516E-006          43  -2.0000000000000000        23.525200000000002     
 gaminv   1.7685814654215752        1651.0000000000000        18.213021584905952        18.213021584905952        23.525200000000002        18.212592023132824        1.0000235859768112        1.0000236002784821       -1.4301670958616342E-008
 gaminv   1.7705814655165701        1651.0000000000000        18.213294559465119        18.213294559465119        23.525200000000002        18.212864470167851        1.0000236145883572        1.0000236002784821        1.4309875062679112E-008
 gaminv   1.7685814654215752        1651.0000000000000        18.213021584905952        18.213021584905952        23.525200000000002        18.212592023132821        1.0000235859768114        1.0000236002784821       -1.4301670736571737E-008
 gaminv   1.7705814655165701        1651.0000000000000        18.213294559465119        18.213294559465119        23.525200000000002        18.212864470167851        1.0000236145883572        1.0000236002784821        1.4309875062679112E-008
 gaminv   1.7695811787202702        1651.0000000000000        18.213158058500326        18.213158058500326        23.525200000000002        18.212728233007216        1.0000236002803979        1.0000236002784821        1.9158008512931701E-012
 gaminv   1.7695810448201756        1651.0000000000000        18.213158040224673        18.213158040224673        23.525200000000002        18.212728214766877        1.0000236002784826        1.0000236002784821        4.4408920985006262E-016
 gaminv   1.7695809386448167        1651.0000000000000        18.213158025733087        18.213158025733087        23.525200000000002        18.212728200303303        1.0000236002769634        1.0000236002784821       -1.5187850976872141E-012
 Changed gamma   1.7695810448201756        1.7695814654690727     
 qinv final   1.9463084224881597        125.00000000000000        3500.0000000000000        661.22081105560244        692.88800914165904        5.3406240692503513        5.4805110911699852        11126.978595743154        11244.004023378855       -31.667198086056601       -32.220000000000027       0.55280191394342637     
 qinv final   2.1463084319876500        125.00000000000000        3500.0000000000000        659.50829682217341        692.29097394975634        5.3468959293095084        5.4825653117853523        11106.040839697605        11237.052959887616       -32.782677127582929       -32.220000000000027      -0.56267712758290145     
   1.9463084224881597        2.1463084319876500     
 qinv final   1.9463084224881597        125.00000000000000        3500.0000000000000        661.22081105560244        692.88800914165904        5.3406240692503513        5.4805110911699852        11126.978595743154        11244.004023378855       -31.667198086056601       -32.220000000000027       0.55280191394342637     
 qinv final   2.1463084319876500        125.00000000000000        3500.0000000000000        659.50829682217341        692.29097394975634        5.3468959293095084        5.4825653117853523        11106.040839697605        11237.052959887616       -32.782677127582929       -32.220000000000027      -0.56267712758290145     
 qinv final   2.0454231381611141        125.00000000000000        3500.0000000000000        660.38141227859705        692.59647358689358        5.3437115379156559        5.4815210967657082        11116.700806073848        11240.602573555081       -32.215061308296526       -32.220000000000027        4.9386917035008082E-003
 qinv final   2.0463088300744365        125.00000000000000        3500.0000000000000        660.37383021406652        692.59383039396391        5.3437393092060672        5.4815301926124826        11116.608102080345        11240.571798374081       -32.220000179897397       -32.220000000000027       -1.7989736988965888E-007
 qinv final   2.0463087072954109        125.00000000000000        3500.0000000000000        660.37383126523071        692.59383076042377        5.3437393053560482        5.4815301913514851        11116.608114932502        11240.571802640761       -32.219999495193065       -32.220000000000027        5.0480696245358558E-007
 Changed q   2.0463088300744365        2.0463084272379048     
 before goinv   171.13627233034941        9.9999997764825821E-003   170.13627235270116        172.13627230799767     
 Changed Go   171.13598048306775        171.13627233034941     
 Changed Gop   1.8518823317471682        1.8518817890733190     
 Changed eta   1.2881044939216773        1.2881082866287115       -33.780000000000030        3500.0000000000000        125.00000000000000     
 Looping back for species.  Differences: mppv           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        23.525200000000002        23.525200000000002     
 Gamma   4.2064889704818142E-007
 q   4.0283653168771139E-007
 eta   3.7927070342114177E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   2.9184728165887464E-004
 Gop   5.4267384919093331E-007
mppv  23.53 292.00   3.74 941.50   1.77   2.05 171.14   1.85   1.29
 After Vo block
   282.00000022351742        301.99999977648258     
 Changed Ko isoth   292.00000000000023        292.00000000000000     
 Changed Kop isoth one   3.7400000000000002        3.7400000000000002     
 WARNING: Volume failed for logical reasons   0.0000000000000000        9.9999997473787516E-006          43  -2.0000000000000000        23.525200000000002     
 gaminv   1.7685810447726782        1651.0000000000000        18.213021511758335        18.213021511758335        23.525200000000002        18.212591950124633        1.0000235859692501        1.0000236002784821       -1.4309232021503249E-008
 gaminv   1.7705810448676731        1651.0000000000000        18.213294486366802        18.213294486366802        23.525200000000002        18.212864397208907        1.0000236145807992        1.0000236002784821        1.4302317108416673E-008
 gaminv   1.7685810447726782        1651.0000000000000        18.213021511758335        18.213021511758335        23.525200000000002        18.212591950124629        1.0000235859692503        1.0000236002784821       -1.4309231799458644E-008
 gaminv   1.7705810448676731        1651.0000000000000        18.213294486366802        18.213294486366802        23.525200000000002        18.212864397208907        1.0000236145807992        1.0000236002784821        1.4302317108416673E-008
 gaminv   1.7695812864950109        1651.0000000000000        18.213158057500486        18.213158057500486        23.525200000000002        18.212728232007386        1.0000236002803986        1.0000236002784821        1.9164669851079452E-012
 gaminv   1.7695811525304190        1651.0000000000000        18.213158039216022        18.213158039216022        23.525200000000002        18.212728213758265        1.0000236002784817        1.0000236002784821       -4.4408920985006262E-016
 Changed gamma   1.7695811525304190        1.7695810448201756     
 qinv final   1.9463088253246914        125.00000000000000        3500.0000000000000        661.22080706366785        692.88800794713245        5.3406240686170898        5.4805110913630033        11126.978562814840        11244.004013488622       -31.667200883464602       -32.220000000000027       0.55279911653542513     
 qinv final   2.1463088348241817        125.00000000000000        3500.0000000000000        659.50829274187515        692.29097271651710        5.3468959289589417        5.4825653120593971        11106.040805705821        11237.052949597997       -32.782679974641951       -32.220000000000027      -0.56267997464192376     
   1.9463088253246914        2.1463088348241817     
 qinv final   1.9463088253246914        125.00000000000000        3500.0000000000000        661.22080706366785        692.88800794713245        5.3406240686170898        5.4805110913630033        11126.978562814840        11244.004013488622       -31.667200883464602       -32.220000000000027       0.55279911653542513     
 qinv final   2.1463088348241817        125.00000000000000        3500.0000000000000        659.50829274187515        692.29097271651710        5.3468959289589417        5.4825653120593971        11106.040805705821        11237.052949597997       -32.782679974641951       -32.220000000000027      -0.56267997464192376     
 qinv final   2.0454230350242231        125.00000000000000        3500.0000000000000        660.38141257480527        692.59647388339317        5.3437115215565392        5.4815210918023318        11116.700825583204        11240.602581050163       -32.215061308587906       -32.220000000000027        4.9386914121214431E-003
 qinv final   2.0463087269252456        125.00000000000000        3500.0000000000000        660.37383051082065        692.59383069071794        5.3437392928459602        5.4815301876486204        11116.608121595104        11240.571805871707       -32.220000179897283       -32.220000000000027       -1.7989725620282115E-007
 qinv final   2.0463086041462262        125.00000000000000        3500.0000000000000        660.37383156198473        692.59383105717814        5.3437392889959412        5.4815301863876238        11116.608134447260        11240.571810138388       -32.219999495193406       -32.220000000000027        5.0480662139307242E-007
 Changed q   2.0463087269252456        2.0463088300744365     
 before goinv   171.13598048306775        9.9999997764825821E-003   170.13598050541950        172.13598046071601     
 Changed Go   171.13591184948496        171.13598048306775     
 Changed Gop   1.8518825349372332        1.8518823317471682     
 Changed eta   1.2881033486841262        1.2881044939216773       -33.780000000000030        3500.0000000000000        125.00000000000000     
 Looping back for species.  Differences: mppv           3
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        23.525200000000002        23.525200000000002     
 Gamma   1.0771024339106816E-007
 q   1.0314919096643393E-007
 eta   1.1452375510145885E-006
 Ko   2.2737367544323206E-013
 Kop   0.0000000000000000     
 Go   6.8633582799293436E-005
 Gop   2.0319006499569525E-007
mppv  23.53 292.00   3.74 941.50   1.77   2.05 171.14   1.85   1.29
 After Vo block
   282.00000022351765        301.99999977648281     
 Changed Ko isoth   292.00000000000000        292.00000000000023     
 Changed Kop isoth one   3.7400000000000002        3.7400000000000002     
 WARNING: Volume failed for logical reasons   0.0000000000000000        9.9999997473787516E-006          43  -2.0000000000000000        23.525200000000002     
 gaminv   1.7685811524829216        1651.0000000000000        18.213021530488316        18.213021530488316        23.525200000000002        18.212591968818913        1.0000235859711861        1.0000236002784821       -1.4307296014592907E-008
 gaminv   1.7705811525779165        1651.0000000000000        18.213294505084161        18.213294505084161        23.525200000000002        18.212864415890579        1.0000236145827346        1.0000236002784821        1.4304252449193200E-008
 gaminv   1.7685811524829216        1651.0000000000000        18.213021530488316        18.213021530488316        23.525200000000002        18.212591968818913        1.0000235859711861        1.0000236002784821       -1.4307296014592907E-008
 gaminv   1.7705811525779165        1651.0000000000000        18.213294505084161        18.213294505084161        23.525200000000002        18.212864415890579        1.0000236145827346        1.0000236002784821        1.4304252449193200E-008
 gaminv   1.7695812589058411        1651.0000000000000        18.213158057757500        18.213158057757500        23.525200000000002        18.212728232264396        1.0000236002803986        1.0000236002784821        1.9164669851079452E-012
 gaminv   1.7695811249412521        1651.0000000000000        18.213158039473040        18.213158039473040        23.525200000000002        18.212728214015272        1.0000236002784821        1.0000236002784821        0.0000000000000000     
 Changed gamma   1.7695811249412521        1.7695811525304190     
 qinv final   1.9463087221755004        125.00000000000000        3500.0000000000000        661.22080808588373        692.88800825300200        5.3406240687803592        5.4805110913139119        11126.978571245647        11244.004016020766       -31.667200167118267       -32.220000000000027       0.55279983288176027     
 qinv final   2.1463087316749907        125.00000000000000        3500.0000000000000        659.50829378671222        692.29097303229685        5.3468959290498290        5.4825653119895623        11106.040814408894        11237.052952232381       -32.782679245584632       -32.220000000000027      -0.56267924558460436     
   1.9463087221755004        2.1463087316749907     
 qinv final   1.9463087221755004        125.00000000000000        3500.0000000000000        661.22080808588373        692.88800825300200        5.3406240687803592        5.4805110913139119        11126.978571245647        11244.004016020766       -31.667200167118267       -32.220000000000027       0.55279983288176027     
 qinv final   2.1463087316749907        125.00000000000000        3500.0000000000000        659.50829378671222        692.29097303229685        5.3468959290498290        5.4825653119895623        11106.040814408894        11237.052952232381       -32.782679245584632       -32.220000000000027      -0.56267924558460436     
 qinv final   2.0454230614418845        125.00000000000000        3500.0000000000000        660.38141249893454        692.59647380744707        5.3437115257468024        5.4815210930736633        11116.700820586038        11240.602579130355       -32.215061308512531       -32.220000000000027        4.9386914874958165E-003
 qinv final   2.0463087533461901        125.00000000000000        3500.0000000000000        660.37383043480872        692.59383061470646        5.3437392970364810        5.4815301889200789        11116.608116596539        11240.571803951243       -32.220000179897738       -32.220000000000027       -1.7989771095017204E-007
 qinv final   2.0463086305671694        125.00000000000000        3500.0000000000000        660.37383148597291        692.59383098116643        5.3437392931864611        5.4815301876590796        11116.608129448696        11240.571808217925       -32.219999495193520       -32.220000000000027        5.0480650770623470E-007
 Changed q   2.0463087533461901        2.0463087269252456     
 before goinv   171.13591184948496        9.9999997764825821E-003   170.13591187183670        172.13591182713321     
 Changed Go   171.13588544281447        171.13591184948496     
 Changed Gop   1.8518826093039382        1.8518825349372332     
 Changed eta   1.2881029387785248        1.2881033486841262       -33.780000000000030        3500.0000000000000        125.00000000000000     
 Looping back for species.  Differences: mppv           4
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        23.525200000000002        23.525200000000002     
 Gamma   2.7589166951003108E-008
 q   2.6420944543303904E-008
 eta   4.0990560146170196E-007
 Ko   2.2737367544323206E-013
 Kop   0.0000000000000000     
 Go   2.6406670485812356E-005
 Gop   7.4366705016259971E-008
mppv  23.53 292.00   3.74 941.50   1.77   2.05 171.14   1.85   1.29
 After Vo block
   282.00000022351742        301.99999977648258     
 Changed Ko isoth   292.00000000000023        292.00000000000000     
 Changed Kop isoth one   3.7400000000000002        3.7400000000000002     
 WARNING: Volume failed for logical reasons   0.0000000000000000        9.9999997473787516E-006          43  -2.0000000000000000        23.525200000000002     
 gaminv   1.7685811248937546        1651.0000000000000        18.213021525690774        18.213021525690774        23.525200000000002        18.212591964030512        1.0000235859706905        1.0000236002784821       -1.4307791618151100E-008
 gaminv   1.7705811249887495        1651.0000000000000        18.213294500289845        18.213294500289845        23.525200000000002        18.212864411105411        1.0000236145822385        1.0000236002784821        1.4303756401545797E-008
 gaminv   1.7685811248937546        1651.0000000000000        18.213021525690774        18.213021525690774        23.525200000000002        18.212591964030516        1.0000235859706903        1.0000236002784821       -1.4307791840195705E-008
 gaminv   1.7705811249887495        1651.0000000000000        18.213294500289845        18.213294500289845        23.525200000000002        18.212864411105411        1.0000236145822385        1.0000236002784821        1.4303756401545797E-008
 gaminv   1.7695812659835615        1651.0000000000000        18.213158057693164        18.213158057693164        23.525200000000002        18.212728232200057        1.0000236002803988        1.0000236002784821        1.9166890297128703E-012
 gaminv   1.7695811320034489        1651.0000000000000        18.213158039406586        18.213158039406586        23.525200000000002        18.212728213948818        1.0000236002784821        1.0000236002784821        0.0000000000000000     
 Changed gamma   1.7695811320034489        1.7695811249412521     
 qinv final   1.9463087485964450        125.00000000000000        3500.0000000000000        661.22080782407670        692.88800817465733        5.3406240687390953        5.4805110913266502        11126.978569085797        11244.004015372020       -31.667200350580629       -32.220000000000027       0.55279964941939852     
 qinv final   2.1463087580959352        125.00000000000000        3500.0000000000000        659.50829351910841        692.29097295141185        5.3468959290271076        5.4825653120076154        11106.040812179284        11237.052951557433       -32.782679432303439       -32.220000000000027      -0.56267943230341189     
   1.9463087485964450        2.1463087580959352     
 qinv final   1.9463087485964450        125.00000000000000        3500.0000000000000        661.22080782407670        692.88800817465733        5.3406240687390953        5.4805110913266502        11126.978569085797        11244.004015372020       -31.667200350580629       -32.220000000000027       0.55279964941939852     
 qinv final   2.1463087580959352        125.00000000000000        3500.0000000000000        659.50829351910841        692.29097295141185        5.3468959290271076        5.4825653120076154        11106.040812179284        11237.052951557433       -32.782679432303439       -32.220000000000027      -0.56267943230341189     
 qinv final   2.0454230546795671        125.00000000000000        3500.0000000000000        660.38141251835577        692.59647382688786        5.3437115246741902        5.4815210927482303        11116.700821865199        11240.602579621785       -32.215061308532086       -32.220000000000027        4.9386914679416805E-003
 qinv final   2.0463087465829863        125.00000000000000        3500.0000000000000        660.37383045426679        692.59383063416408        5.3437392959638030        5.4815301885946139        11116.608117876063        11240.571804442841       -32.220000179897283       -32.220000000000027       -1.7989725620282115E-007
 qinv final   2.0463086238039661        125.00000000000000        3500.0000000000000        660.37383150543064        692.59383100062382        5.3437392921137823        5.4815301873336155        11116.608130728218        11240.571808709519       -32.219999495193179       -32.220000000000027        5.0480684876674786E-007
 Changed q   2.0463087465829863        2.0463087533461901     
 before goinv   171.13588544281447        9.9999997764825821E-003   170.13588546516621        172.13588542046273     
 Changed Go   171.13587570086210        171.13588544281447     
 Changed Gop   1.8518826364746734        1.8518826093039382     
 Changed eta   1.2881027829414826        1.2881029387785248       -33.780000000000030        3500.0000000000000        125.00000000000000     
 Looping back for species.  Differences: mppv           5
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        23.525200000000002        23.525200000000002     
 Gamma   7.0621968273343327E-009
 q   6.7632037747955565E-009
 eta   1.5583704215949012E-007
 Ko   2.2737367544323206E-013
 Kop   0.0000000000000000     
 Go   9.7419523683583975E-006
 Gop   2.7170735217296738E-008
mppv  23.53 292.00   3.74 941.50   1.77   2.05 171.14   1.85   1.29
 After Vo block
   282.00000022351765        301.99999977648281     
 Changed Ko isoth   292.00000000000023        292.00000000000023     
 Changed Kop isoth one   3.7400000000000002        3.7400000000000002     
 WARNING: Volume failed for logical reasons   0.0000000000000000        9.9999997473787516E-006          43  -2.0000000000000000        23.525200000000002     
 gaminv   1.7685811319559515        1651.0000000000000        18.213021526918837        18.213021526918837        23.525200000000002        18.212591965256237        1.0000235859708173        1.0000236002784821       -1.4307664830681688E-008
 gaminv   1.7705811320509464        1651.0000000000000        18.213294501517087        18.213294501517087        23.525200000000002        18.212864412330308        1.0000236145823655        1.0000236002784821        1.4303883411059815E-008
 gaminv   1.7685811319559515        1651.0000000000000        18.213021526918837        18.213021526918837        23.525200000000002        18.212591965256241        1.0000235859708171        1.0000236002784821       -1.4307665052726293E-008
 gaminv   1.7705811320509464        1651.0000000000000        18.213294501517087        18.213294501517087        23.525200000000002        18.212864412330308        1.0000236145823655        1.0000236002784821        1.4303883411059815E-008
 gaminv   1.7695812641753184        1651.0000000000000        18.213158057710110        18.213158057710110        23.525200000000002        18.212728232217003        1.0000236002803988        1.0000236002784821        1.9166890297128703E-012
 gaminv   1.7695811301952071        1651.0000000000000        18.213158039423533        18.213158039423533        23.525200000000002        18.212728213965768        1.0000236002784819        1.0000236002784821       -2.2204460492503131E-016
 Changed gamma   1.7695811301952071        1.7695811320034489     
 qinv final   1.9463087418332412        125.00000000000000        3500.0000000000000        661.22080789109691        692.88800819471146        5.3406240687497153        5.4805110913234047        11126.978569638639        11244.004015538067       -31.667200303614550       -32.220000000000027       0.55279969638547755     
 qinv final   2.1463087513327315        125.00000000000000        3500.0000000000000        659.50829358761177        692.29097297211729        5.3468959290329803        5.4825653120030120        11106.040812749980        11237.052951730191       -32.782679384505514       -32.220000000000027      -0.56267938450548627     
   1.9463087418332412        2.1463087513327315     
 qinv final   1.9463087418332412        125.00000000000000        3500.0000000000000        661.22080789109691        692.88800819471146        5.3406240687497153        5.4805110913234047        11126.978569638639        11244.004015538067       -31.667200303614550       -32.220000000000027       0.55279969638547755     
 qinv final   2.1463087513327315        125.00000000000000        3500.0000000000000        659.50829358761177        692.29097297211729        5.3468959290329803        5.4825653120030120        11106.040812749980        11237.052951730191       -32.782679384505514       -32.220000000000027      -0.56267938450548627     
 qinv final   2.0454230564110669        125.00000000000000        3500.0000000000000        660.38141251338300        692.59647382191054        5.3437115249488292        5.4815210928315565        11116.700821537674        11240.602579495961       -32.215061308527538       -32.220000000000027        4.9386914724891540E-003
 qinv final   2.0463087483146296        125.00000000000000        3500.0000000000000        660.37383044928526        692.59383062918198        5.3437392962384553        5.4815301886779464        11116.608117548454        11240.571804316969       -32.220000179896715       -32.220000000000027       -1.7989668776863255E-007
 qinv final   2.0463086255356089        125.00000000000000        3500.0000000000000        660.37383150044877        692.59383099564241        5.3437392923884337        5.4815301874169489        11116.608130400607        11240.571808583654       -32.219999495193633       -32.220000000000027        5.0480639401939698E-007
 Changed q   2.0463087483146296        2.0463087465829863     
 before goinv   171.13587570086210        9.9999997764825821E-003   170.13587572321384        172.13587567851036     
 Changed Go   171.13587217335441        171.13587570086210     
 Changed Gop   1.8518826464364939        1.8518826364746734     
 Changed eta   1.2881027275402481        1.2881027829414826       -33.780000000000030        3500.0000000000000        125.00000000000000     
 Looping back for species.  Differences: mppv           6
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        23.525200000000002        23.525200000000002     
 Gamma   1.8082417785336702E-009
 q   1.7316432732172871E-009
 eta   5.5401234488883233E-008
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.5275076868401811E-006
 Gop   9.9618204796314558E-009
mppv  23.53 292.00   3.74 941.50   1.77   2.05 171.14   1.85   1.29
 After Vo block
   282.00000022351765        301.99999977648281     
 Changed Ko isoth   292.00000000000023        292.00000000000023     
 Changed Kop isoth one   3.7400000000000002        3.7400000000000002     
 WARNING: Volume failed for logical reasons   0.0000000000000000        9.9999997473787516E-006          43  -2.0000000000000000        23.525200000000002     
 gaminv   1.7685811301477097        1651.0000000000000        18.213021526604404        18.213021526604404        23.525200000000002        18.212591964942398        1.0000235859707851        1.0000236002784821       -1.4307697027149402E-008
 gaminv   1.7705811302427046        1651.0000000000000        18.213294501202860        18.213294501202860        23.525200000000002        18.212864412016678        1.0000236145823331        1.0000236002784821        1.4303850992547495E-008
 gaminv   1.7685811301477097        1651.0000000000000        18.213021526604404        18.213021526604404        23.525200000000002        18.212591964942401        1.0000235859707849        1.0000236002784821       -1.4307697249194007E-008
 gaminv   1.7705811302427046        1651.0000000000000        18.213294501202860        18.213294501202860        23.525200000000002        18.212864412016678        1.0000236145823331        1.0000236002784821        1.4303850992547495E-008
 gaminv   1.7695812646254307        1651.0000000000000        18.213158057704018        18.213158057704018        23.525200000000002        18.212728232210917        1.0000236002803984        1.0000236002784821        1.9162449405030202E-012
 gaminv   1.7695811306763611        1651.0000000000000        18.213158039421675        18.213158039421675        23.525200000000002        18.212728213963906        1.0000236002784821        1.0000236002784821        0.0000000000000000     
 Changed gamma   1.7695811306763611        1.7695811301952071     
 qinv final   1.9463087435648845        125.00000000000000        3500.0000000000000        661.22080787383231        692.88800818957282        5.3406240687447841        5.4805110913235824        11126.978569498513        11244.004015496190       -31.667200315740502       -32.220000000000027       0.55279968425952575     
 qinv final   2.1463087530643747        125.00000000000000        3500.0000000000000        659.50829356997895        692.29097296681664        5.3468959290292579        5.4825653120035271        11106.040812605377        11237.052951686645       -32.782679396837693       -32.220000000000027      -0.56267939683766599     
   1.9463087435648845        2.1463087530643747     
 qinv final   1.9463087435648845        125.00000000000000        3500.0000000000000        661.22080787383231        692.88800818957282        5.3406240687447841        5.4805110913235824        11126.978569498513        11244.004015496190       -31.667200315740502       -32.220000000000027       0.55279968425952575     
 qinv final   2.1463087530643747        125.00000000000000        3500.0000000000000        659.50829356997895        692.29097296681664        5.3468959290292579        5.4825653120035271        11106.040812605377        11237.052951686645       -32.782679396837693       -32.220000000000027      -0.56267939683766599     
 qinv final   2.0454230559502613        125.00000000000000        3500.0000000000000        660.38141251470688        692.59647382323510        5.3437115248757481        5.4815210928093849        11116.700821624832        11240.602579529443       -32.215061308528220       -32.220000000000027        4.9386914718070329E-003
 qinv final   2.0463087478538817        125.00000000000000        3500.0000000000000        660.37383045061028        692.59383063050814        5.3437392961653734        5.4815301886557730        11116.608117635624        11240.571804350466       -32.220000179897852       -32.220000000000027       -1.7989782463700976E-007
 qinv final   2.0463086250748614        125.00000000000000        3500.0000000000000        660.37383150177493        692.59383099696788        5.3437392923153535        5.4815301873947746        11116.608130487786        11240.571808617146       -32.219999495192951       -32.220000000000027        5.0480707614042331E-007
 Changed q   2.0463087478538817        2.0463087483146296     
 before goinv   171.13587217335441        9.9999997764825821E-003   170.13587219570616        172.13587215100267     
 Changed Go   171.13587087124625        171.13587217335441     
 Changed Gop   1.8518826500789105        1.8518826464364939     
 Changed eta   1.2881027068257054        1.2881027275402481       -33.780000000000030        3500.0000000000000        125.00000000000000     
 Looping back for species.  Differences: mppv           7
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        23.525200000000002        23.525200000000002     
 Gamma   4.8115400552717347E-010
 q   4.6074788428995817E-010
 eta   2.0714542747768405E-008
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   1.3021081599617901E-006
 Gop   3.6424165905657446E-009
mppv  23.53 292.00   3.74 941.50   1.77   2.05 171.14   1.85   1.29
 After Vo block
   282.00000022351765        301.99999977648281     
 Changed Ko isoth   292.00000000000023        292.00000000000023     
 Changed Kop isoth one   3.7400000000000002        3.7400000000000002     
 WARNING: Volume failed for logical reasons   0.0000000000000000        9.9999997473787516E-006          43  -2.0000000000000000        23.525200000000002     
 gaminv   1.7685811306288637        1651.0000000000000        18.213021526688067        18.213021526688067        23.525200000000002        18.212591965025908        1.0000235859707933        1.0000236002784821       -1.4307688811499020E-008
 gaminv   1.7705811307238586        1651.0000000000000        18.213294501286473        18.213294501286473        23.525200000000002        18.212864412100128        1.0000236145823420        1.0000236002784821        1.4303859874331692E-008
 gaminv   1.7685811306288637        1651.0000000000000        18.213021526688067        18.213021526688067        23.525200000000002        18.212591965025908        1.0000235859707933        1.0000236002784821       -1.4307688811499020E-008
 gaminv   1.7705811307238586        1651.0000000000000        18.213294501286473        18.213294501286473        23.525200000000002        18.212864412100128        1.0000236145823420        1.0000236002784821        1.4303859874331692E-008
 gaminv   1.7695812645012510        1651.0000000000000        18.213158057705034        18.213158057705034        23.525200000000002        18.212728232211930        1.0000236002803986        1.0000236002784821        1.9164669851079452E-012
 gaminv   1.7695811305366620        1651.0000000000000        18.213158039420573        18.213158039420573        23.525200000000002        18.212728213962805        1.0000236002784821        1.0000236002784821        0.0000000000000000     
 Changed gamma   1.7695811305366620        1.7695811306763611     
 qinv final   1.9463087431041366        125.00000000000000        3500.0000000000000        661.22080787849279        692.88800819094308        5.3406240687475171        5.4805110913239572        11126.978569534878        11244.004015506922       -31.667200312450291       -32.220000000000027       0.55279968754973652     
 qinv final   2.1463087526036269        125.00000000000000        3500.0000000000000        659.50829357473083        692.29097296822658        5.3468959290316755        5.4825653120038167        11106.040812642877        11237.052951697791       -32.782679393495755       -32.220000000000027      -0.56267939349572771     
   1.9463087431041366        2.1463087526036269     
 qinv final   1.9463087431041366        125.00000000000000        3500.0000000000000        661.22080787849279        692.88800819094320        5.3406240687475171        5.4805110913239554        11126.978569534878        11244.004015506925       -31.667200312450404       -32.220000000000027       0.55279968754962283     
 qinv final   2.1463087526036269        125.00000000000000        3500.0000000000000        659.50829357473083        692.29097296822658        5.3468959290316755        5.4825653120038167        11106.040812642877        11237.052951697791       -32.782679393495755       -32.220000000000027      -0.56267939349572771     
 qinv final   2.0454230560840183        125.00000000000000        3500.0000000000000        660.38141251432239        692.59647382285038        5.3437115248969649        5.4815210928158216        11116.700821599528        11240.602579519720       -32.215061308527993       -32.220000000000027        4.9386914720344066E-003
 qinv final   2.0463087479876272        125.00000000000000        3500.0000000000000        660.37383045022568        692.59383063012297        5.3437392961865910        5.4815301886622105        11116.608117610316        11240.571804340741       -32.220000179897283       -32.220000000000027       -1.7989725620282115E-007
 qinv final   2.0463086252086069        125.00000000000000        3500.0000000000000        660.37383150139033        692.59383099658260        5.3437392923365730        5.4815301874012112        11116.608130462475        11240.571808607419       -32.219999495192269       -32.220000000000027        5.0480775826144964E-007
 Changed q   2.0463087479876272        2.0463087478538817     
 before goinv   171.13587087124625        9.9999997764825821E-003   170.13587089359800        172.13587084889451     
 Changed Go   171.13587039750396        171.13587087124625     
 Changed Gop   1.8518826514133369        1.8518826500789105     
 Changed eta   1.2881026993624440        1.2881027068257054       -33.780000000000030        3500.0000000000000        125.00000000000000     
fppv  24.65 292.00   3.74 794.16   1.77   2.05 129.50   1.32   1.73
 After Vo block
 Changed Ko intraphase   292.00000000000023        292.00000000000000     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   3.7400000000000002        3.7400000000000002               44          43          17
 Changed gamma intraphase   1.7695811305366620     
 Changed q intraphase   2.0463087479876272     
 before goinv   129.50000000000000        9.9999997764825821E-003   128.50000002235174        130.49999997764826     
 Changed Go   129.50000000000000        129.50000000000000     
 Changed Gop   1.3152568939040339        1.3152600000000001     
 Changed eta systematics   1.7260125725127491        1.7260100000000000       -13.597500540316107        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fppv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        24.651900000000001        24.651900000000001     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.5725127490439093E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   3.1060959662099208E-006
fppv  24.65 292.00   3.74 794.16   1.77   2.05 129.50   1.32   1.73
 After Vo block
 Changed Ko intraphase   292.00000000000023        292.00000000000023     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   3.7400000000000002        3.7400000000000002               44          43          17
 Changed gamma intraphase   1.7695811305366620     
 Changed q intraphase   2.0463087479876272     
 before goinv   129.50000000000000        9.9999997764825821E-003   128.50000002235174        130.49999997764826     
 Changed Go   129.50000000000000        129.50000000000000     
 Changed Gop   1.3152568939040337        1.3152568939040339     
 Changed eta systematics   1.7260125725127513        1.7260125725127491       -13.597500540316107        300.00000000000000        1000.0000000000000        0.0000000000000000     
appv  23.85 249.00   4.00 722.94   1.89   2.05  91.97   1.82   2.53
 After Vo block
   239.00000022351742        258.99999977648258     
 Changed Ko isoth   249.00000000000000        249.00000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 gaminv   1.8865799999525026        4000.0000000000000        18.518439481983854        18.518439481983854        23.847000000000001        17.674294992815035        1.0477611406572076        1.0477889897838486       -2.7849126640999700E-005
 gaminv   1.8885800000474975        4000.0000000000000        18.519419067228316        18.519419067228316        23.847000000000001        17.674294867841713        1.0478165723558399        1.0477889897838486        2.7582571991313642E-005
 gaminv   1.8865799999525026        4000.0000000000000        18.518439481983854        18.518439481983854        23.847000000000001        17.674294992815035        1.0477611406572076        1.0477889897838486       -2.7849126640999700E-005
 gaminv   1.8885800000474975        4000.0000000000000        18.519419067228316        18.519419067228316        23.847000000000001        17.674294867841713        1.0478165723558399        1.0477889897838486        2.7582571991313642E-005
 gaminv   1.8875848087045666        4000.0000000000000        18.518931671467961        18.518931671467961        23.847000000000001        17.674294929974142        1.0477889921402965        1.0477889897838486        2.3564479256776849E-009
 gaminv   1.8875846954489821        4000.0000000000000        18.518931615996255        18.518931615996255        23.847000000000001        17.674294929981226        1.0477889890013239        1.0477889897838486       -7.8252471169548699E-010
 Changed gamma   1.8875846954489821        1.8875800000000000     
 Changed q intraphase   2.0463087479876272     
 before goinv   91.965260000000001        9.9999997764825821E-003   90.965260022351742        92.965259977648259     
 Changed Go   91.965617579499167        91.965260000000001     
 Changed Gop   1.8160343399905543        1.8160300000000000     
 Changed eta   2.5260580631814022        2.5260500000000001       -96.000000000000000        4000.0000000000000        136.00000000000000     
 Looping back for species.  Differences: appv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        23.847000000000001        23.847000000000001     
 Gamma   4.6954489820727474E-006
 q   0.0000000000000000     
 eta   8.0631814021181469E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.5757949916614962E-004
 Gop   4.3399905542695905E-006
appv  23.85 249.00   4.00 722.94   1.89   2.05  91.97   1.82   2.53
 After Vo block
   239.00000022351742        258.99999977648258     
 Changed Ko isoth   249.00000000000000        249.00000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 gaminv   1.8865846954014847        4000.0000000000000        18.518441953062982        18.518441953062982        23.847000000000001        17.674294992487884        1.0477612804886354        1.0477889897838486       -2.7709295213229623E-005
 gaminv   1.8885846954964796        4000.0000000000000        18.519421537496196        18.519421537496196        23.847000000000001        17.674294867515634        1.0478167121413062        1.0477889897838486        2.7722357457626856E-005
 gaminv   1.8865846954014847        4000.0000000000000        18.518441953062982        18.518441953062982        23.847000000000001        17.674294992487880        1.0477612804886356        1.0477889897838486       -2.7709295213007579E-005
 gaminv   1.8885846954964796        4000.0000000000000        18.519421537496196        18.519421537496196        23.847000000000001        17.674294867515634        1.0478167121413062        1.0477889897838486        2.7722357457626856E-005
 gaminv   1.8875844598030180        4000.0000000000000        18.518931671456993        18.518931671456993        23.847000000000001        17.674294929962727        1.0477889921403529        1.0477889897838486        2.3565043250073359E-009
 gaminv   1.8875843465474544        4000.0000000000000        18.518931615985299        18.518931615985299        23.847000000000001        17.674294929969808        1.0477889890013810        1.0477889897838486       -7.8246764623202125E-010
 Changed gamma   1.8875843465474544        1.8875846954489821     
 Changed q intraphase   2.0463087479876272     
 before goinv   91.965617579499167        9.9999997764825821E-003   90.965617601850909        92.965617557147425     
 Changed Go   91.965278357737034        91.965617579499167     
 Changed Gop   1.8160345652113739        1.8160343399905543     
 Changed eta   2.5260531186216166        2.5260580631814022       -96.000000000000000        4000.0000000000000        136.00000000000000     
 Looping back for species.  Differences: appv           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        23.847000000000001        23.847000000000001     
 Gamma   3.4890152766919869E-007
 q   0.0000000000000000     
 eta   4.9445597856134782E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.3922176213252442E-004
 Gop   2.2522081954967632E-007
appv  23.85 249.00   4.00 722.94   1.89   2.05  91.97   1.82   2.53
 After Vo block
   239.00000022351742        258.99999977648258     
 Changed Ko isoth   249.00000000000000        249.00000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 gaminv   1.8865843464999570        4000.0000000000000        18.518441782144713        18.518441782144713        23.847000000000001        17.674294992509719        1.0477612708168975        1.0477889897838486       -2.7718966951084667E-005
 gaminv   1.8885843465949519        4000.0000000000000        18.519421366635978        18.519421366635978        23.847000000000001        17.674294867537398        1.0478167024728571        1.0477889897838486        2.7712689008474456E-005
 gaminv   1.8865843464999570        4000.0000000000000        18.518441782144713        18.518441782144713        23.847000000000001        17.674294992509719        1.0477612708168975        1.0477889897838486       -2.7718966951084667E-005
 gaminv   1.8885843465949519        4000.0000000000000        18.519421366635978        18.519421366635978        23.847000000000001        17.674294867537398        1.0478167024728571        1.0477889897838486        2.7712689008474456E-005
 gaminv   1.8875844598030085        4000.0000000000000        18.518931671456986        18.518931671456986        23.847000000000001        17.674294929962727        1.0477889921403525        1.0477889897838486        2.3565038809181260E-009
 gaminv   1.8875843465474449        4000.0000000000000        18.518931615985291        18.518931615985291        23.847000000000001        17.674294929969808        1.0477889890013805        1.0477889897838486       -7.8246809032123110E-010
 Changed gamma   1.8875843465474449        1.8875843465474544     
 Changed q intraphase   2.0463087479876272     
 before goinv   91.965278357737034        9.9999997764825821E-003   90.965278380088776        92.965278335385293     
 Changed Go   91.965260754057397        91.965278357737034     
 Changed Gop   1.8160345768990531        1.8160345652113739     
 Changed eta   2.5260528654918661        2.5260531186216166       -96.000000000000000        4000.0000000000000        136.00000000000000     
 Looping back for species.  Differences: appv           3
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        23.847000000000001        23.847000000000001     
 Gamma   9.5479180117763462E-015
 q   0.0000000000000000     
 eta   2.5312975049374131E-007
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   1.7603679637545611E-005
 Gop   1.1687679268845841E-008
appv  23.85 249.00   4.00 722.94   1.89   2.05  91.97   1.82   2.53
 After Vo block
   239.00000022351742        258.99999977648258     
 Changed Ko isoth   249.00000000000000        249.00000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 gaminv   1.8865843464999474        4000.0000000000000        18.518441782144706        18.518441782144706        23.847000000000001        17.674294992509719        1.0477612708168973        1.0477889897838486       -2.7718966951306712E-005
 gaminv   1.8885843465949423        4000.0000000000000        18.519421366635971        18.519421366635971        23.847000000000001        17.674294867537398        1.0478167024728566        1.0477889897838486        2.7712689008030367E-005
 gaminv   1.8865843464999474        4000.0000000000000        18.518441782144706        18.518441782144706        23.847000000000001        17.674294992509719        1.0477612708168973        1.0477889897838486       -2.7718966951306712E-005
 gaminv   1.8885843465949423        4000.0000000000000        18.519421366635971        18.519421366635971        23.847000000000001        17.674294867537398        1.0478167024728566        1.0477889897838486        2.7712689008030367E-005
 gaminv   1.8875844598030109        4000.0000000000000        18.518931671456986        18.518931671456986        23.847000000000001        17.674294929962727        1.0477889921403525        1.0477889897838486        2.3565038809181260E-009
 gaminv   1.8875843465474473        4000.0000000000000        18.518931615985291        18.518931615985291        23.847000000000001        17.674294929969808        1.0477889890013805        1.0477889897838486       -7.8246809032123110E-010
 Changed gamma   1.8875843465474473        1.8875843465474449     
 Changed q intraphase   2.0463087479876272     
 before goinv   91.965260754057397        9.9999997764825821E-003   90.965260776409139        92.965260731705655     
 Changed Go   91.965259840526556        91.965260754057397     
 Changed Gop   1.8160345775055771        1.8160345768990531     
 Changed eta   2.5260528523558743        2.5260528654918661       -96.000000000000000        4000.0000000000000        136.00000000000000     
hppv  27.69 176.50   4.00 688.06   1.77   2.05 159.01   1.85   2.00
 volinv          46   0.0000000000000000        300.00000000000000        27.678440000223517        27.678440000223521        27.688440000000003       -9.9999997764825821E-003
 volinv          46   0.0000000000000000        300.00000000000000        27.698439999776483        27.698439999776486        27.688440000000003        9.9999997764825821E-003
 volinv          46   0.0000000000000000        300.00000000000000        27.678440000223517        27.678440000223521        27.688440000000003       -9.9999997764825821E-003
 volinv          46   0.0000000000000000        300.00000000000000        27.698439999776483        27.698439999776486        27.688440000000003        9.9999997764825821E-003
 volinv          46   0.0000000000000000        300.00000000000000        27.688440000000000        27.688440000000000        27.688440000000003       -3.5527136788005009E-015
 volinv          46   0.0000000000000000        300.00000000000000        27.688441661306840        27.688441661306840        27.688440000000003        1.6613068360982197E-006
 Changed Vo   27.688440000000000        27.688440000000000     
 After Vo block
   166.50000022351742        186.49999977648258     
 Changed Ko isoth   176.50000000000000        176.50000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed gamma intraphase   1.7695811305366620     
 Changed q intraphase   2.0463087479876272     
 Changed G systematics   159.00951511292010     
 Changed Gop intraphase   1.8518826514133369     
 Changed eta systematics   2.0012364128675526        2.0012400000000001       -16.695999750296007        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: hppv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        27.688440000000000        27.688440000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   3.5871324475245103E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   4.8870799105316109E-006
 Gop   0.0000000000000000     
hppv  27.69 176.50   4.00 688.06   1.77   2.05 159.01   1.85   2.00
 volinv          46   0.0000000000000000        300.00000000000000        27.678440000223517        27.678440000223521        27.688440000000003       -9.9999997764825821E-003
 volinv          46   0.0000000000000000        300.00000000000000        27.698439999776483        27.698439999776486        27.688440000000003        9.9999997764825821E-003
 volinv          46   0.0000000000000000        300.00000000000000        27.678440000223517        27.678440000223521        27.688440000000003       -9.9999997764825821E-003
 volinv          46   0.0000000000000000        300.00000000000000        27.698439999776483        27.698439999776486        27.688440000000003        9.9999997764825821E-003
 volinv          46   0.0000000000000000        300.00000000000000        27.688440000000000        27.688440000000000        27.688440000000003       -3.5527136788005009E-015
 volinv          46   0.0000000000000000        300.00000000000000        27.688441661306840        27.688441661306840        27.688440000000003        1.6613068360982197E-006
 Changed Vo   27.688440000000000        27.688440000000000     
 After Vo block
   166.50000022351742        186.49999977648258     
 Changed Ko isoth   176.50000000000000        176.50000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed gamma intraphase   1.7695811305366620     
 Changed q intraphase   2.0463087479876272     
 Changed G systematics   159.00951511292010     
 Changed Gop intraphase   1.8518826514133369     
 Changed eta systematics   2.0012364128675526        2.0012364128675526       -16.695999750296007        300.00000000000000        1000.0000000000000        0.0000000000000000     
lppv  26.25 176.50   4.00 720.86   1.77   2.05 207.40   1.85   3.24
 After Vo block
   166.50000022351742        186.49999977648258     
 Changed Ko isoth   176.50000000000011        176.50000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed gamma intraphase   1.7695811305366620     
 Changed q intraphase   2.0463087479876272     
 Changed G systematics   207.39634530463323     
 Changed Gop intraphase   1.8518826514133369     
 Changed eta systematics   3.2388827111391461        3.2388800000000000       -21.776617122311475        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: lppv           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        26.253399999999999        26.253399999999999     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.7111391460721279E-006
 Ko   1.1368683772161603E-013
 Kop   0.0000000000000000     
 Go   4.6953667833804502E-006
 Gop   0.0000000000000000     
lppv  26.25 176.50   4.00 720.86   1.77   2.05 207.40   1.85   3.24
 After Vo block
   166.50000022351753        186.49999977648270     
 Changed Ko isoth   176.50000000000009        176.50000000000011     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed gamma intraphase   1.7695811305366620     
 Changed q intraphase   2.0463087479876272     
 Changed G systematics   207.39634530463323     
 Changed Gop intraphase   1.8518826514133369     
 Changed eta systematics   3.2388827111391461        3.2388827111391461       -21.776617122311475        300.00000000000000        1000.0000000000000        0.0000000000000000     
pe    44.98 161.14   3.91 770.90   1.45   1.55 130.90   2.15   2.56
 After Vo block
 Changed Ko adiab   161.14394170851699        161.14393000000001     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.60000112660808902     
 Changed Kop compress   3.9083782087234424        3.9083800000000002     
 Changed theta cal   770.90130738192443        770.90151000000003       -0.0000000000000000        328.82769454212104        328.82774698967933       -5.2447558289259177E-005   0.0000000000000000        1000.0000000000000      pe                                                                              
 gaminv   1.4493299999525024        1273.0000000000000        46.829889056643616        46.829889056643616        44.975999999999999        44.979966677857838        1.0411276956258046        1.0411609755941325       -3.3279968327803999E-005
 gaminv   1.4513300000474973        1273.0000000000000        46.832874782722598        46.832874782722598        44.975999999999999        44.979972153922247        1.0411939478855097        1.0411609755941325        3.2972291377220131E-005
 gaminv   1.4493299999525024        1273.0000000000000        46.829889056643616        46.829889056643616        44.975999999999999        44.979966677857838        1.0411276956258046        1.0411609755941325       -3.3279968327803999E-005
 gaminv   1.4513300000474973        1273.0000000000000        46.832874782722598        46.832874782722598        44.975999999999999        44.979972153922247        1.0411939478855097        1.0411609755941325        3.2972291377220131E-005
 gaminv   1.4503346440222049        1273.0000000000000        46.831388660095527        46.831388660095527        44.975999999999999        44.979969428604605        1.0411609713170131        1.0411609755941325       -4.2771193253798856E-009
 gaminv   1.4503347731216438        1273.0000000000000        46.831388852823508        46.831388852823508        44.975999999999999        44.979969428958086        1.0411609755935822        1.0411609755941325       -5.5022653100422758E-013
 gaminv   1.4503348601422270        1273.0000000000000        46.831388982733486        46.831388982733486        44.975999999999999        44.979969429196345        1.0411609784762412        1.0411609755941325        2.8821087738606366E-009
 Changed gamma   1.4503347731216438        1.4503299999999999     
 qinv final   1.4486999952502548        0.0000000000000000        1500.0000000000000        139.98493676777034        163.20001384565691        3.4038031515095817        3.5845299715403769        6412.9585770066087        6747.5170031958978       -23.215077077886576       -24.200000000000017       0.98492292211344079     
 qinv final   1.6487000047497451        0.0000000000000000        1500.0000000000000        138.00924976895709        163.20001384565691        3.4013884895377129        3.5845299715403773        6369.8026716686827        6747.5170031958978       -25.190764076699821       -24.200000000000017      -0.99076407669980426     
   1.4486999952502548        1.6487000047497451     
 qinv final   1.4486999952502548        0.0000000000000000        1500.0000000000000        139.98493676777034        163.20001384565677        3.4038031515095817        3.5845299715403764        6412.9585770066087        6747.5170031958951       -23.215077077886434       -24.200000000000017       0.98492292211358290     
 qinv final   1.6487000047497451        0.0000000000000000        1500.0000000000000        138.00924976895709        163.20001384565691        3.4013884895377129        3.5845299715403773        6369.8026716686827        6747.5170031958978       -25.190764076699821       -24.200000000000017      -0.99076407669980426     
 qinv final   1.5484043481651106        0.0000000000000000        1500.0000000000000        139.00297612984116        163.20001384565677        3.4026102901013466        3.5845299715403764        6391.5463679650002        6747.5170031958951       -24.197037715815611       -24.200000000000017        2.9622841844059167E-003
 qinv final   1.5487042300283835        0.0000000000000000        1500.0000000000000        139.00001390207339        163.20001384565691        3.4026066700065258        3.5845299715403769        6391.4816639701376        6747.5170031958978       -24.199999943583521       -24.200000000000017        5.6416496363453916E-008
 qinv final   1.5487043229511339        0.0000000000000000        1500.0000000000000        139.00001298417592        163.20001384565691        3.4026066688847565        3.5845299715403773        6391.4816439203823        6747.5170031958978       -24.200000861480987       -24.200000000000017       -8.6148097011573554E-007
 Changed q   1.5487042300283835        1.5487000000000000     
 before goinv   130.90000000000001        9.9999997764825821E-003   129.90000002235175        131.89999997764826     
 Changed Go   130.90000000000001        130.90000000000001     
 Changed Gop   2.1466845237251784        2.1466799999999999     
 Changed eta   2.5612333843325206        2.5612300000000001       -30.500000000000014        1500.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: pe             1
 Theta   2.0261807560473244E-004
 Vo   0.0000000000000000        44.975999999999999        44.975999999999999     
 Gamma   4.7731216439306223E-006
 q   4.2300283835672303E-006
 eta   3.3843325204507835E-006
 Ko   1.1708516979069827E-005
 Kop   1.7912765577499101E-006
 Go   0.0000000000000000     
 Gop   4.5237251784513433E-006
pe    44.98 161.14   3.91 770.90   1.45   1.55 130.90   2.15   2.56
 After Vo block
 Changed Ko adiab   161.14392786285046        161.14394170851699     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.60000112660808902     
 Changed Kop compress   3.9083784832175361        3.9083782087234424     
 Changed theta cal   770.90152590264915        770.90130738192443       -0.0000000000000000        328.82780355362752        328.82774698967933        5.6563948191978852E-005   0.0000000000000000        1000.0000000000000      pe                                                                              
 gaminv   1.4493347730741464        1273.0000000000000        46.829896696798833        46.829896696798833        44.975999999999999        44.979966690625595        1.0411278651871210        1.0411609755941325       -3.3110407011482934E-005
 gaminv   1.4513347731691413        1273.0000000000000        46.832882428347510        46.832882428347510        44.975999999999999        44.979972166689599        1.0411941175683987        1.0411609755941325        3.3141974266293062E-005
 gaminv   1.4493347730741464        1273.0000000000000        46.829896696798833        46.829896696798833        44.975999999999999        44.979966690625595        1.0411278651871210        1.0411609755941325       -3.3110407011482934E-005
 gaminv   1.4513347731691413        1273.0000000000000        46.832882428347510        46.832882428347510        44.975999999999999        44.979972166689599        1.0411941175683987        1.0411609755941325        3.3141974266293062E-005
 gaminv   1.4503342966518822        1273.0000000000000        46.831388658786359        46.831388658786359        44.975999999999999        44.979969427352096        1.0411609713168997        1.0411609755941325       -4.2772327901730023E-009
 gaminv   1.4503344257712740        1273.0000000000000        46.831388851544247        46.831388851544247        44.975999999999999        44.979969427705626        1.0411609755941327        1.0411609755941325        2.2204460492503131E-016
 Changed gamma   1.4503344257712740        1.4503347731216438     
 qinv final   1.4487042252786384        0.0000000000000000        1500.0000000000000        139.98488200004505        163.19999867819885        3.4038031380265710        3.5845299715403769        6412.9573352044790        6747.5166896460360       -23.215116678153805       -24.200000000000017       0.98488332184621186     
 qinv final   1.6487042347781287        0.0000000000000000        1500.0000000000000        138.00919527171513        163.19999867819885        3.4013884754651831        3.5845299715403773        6369.8014271881284        6747.5166896460360       -25.190803406483724       -24.200000000000017      -0.99080340648370679     
   1.4487042252786384        1.6487042347781287     
 qinv final   1.4487042252786384        0.0000000000000000        1500.0000000000000        139.98488200004505        163.19999867819874        3.4038031380265710        3.5845299715403764        6412.9573352044790        6747.5166896460341       -23.215116678153692       -24.200000000000017       0.98488332184632554     
 qinv final   1.6487042347781287        0.0000000000000000        1500.0000000000000        138.00919527171513        163.19999867819885        3.4013884754651831        3.5845299715403773        6369.8014271881284        6747.5166896460360       -25.190803406483724       -24.200000000000017      -0.99080340648370679     
 qinv final   1.5484045830836690        0.0000000000000000        1500.0000000000000        139.00296096159212        163.19999867819874        3.4026103245566737        3.5845299715403764        6391.5459868757416        6747.5166896460341       -24.197037716606616       -24.200000000000017        2.9622833934013215E-003
 qinv final   1.5487044649797779        0.0000000000000000        1500.0000000000000        138.99999873461545        163.19999867819885        3.4026067044631847        3.5845299715403769        6391.4812828942086        6747.5166896460360       -24.199999943583407       -24.200000000000017        5.6416610050291638E-008
 qinv final   1.5487045579025425        0.0000000000000000        1500.0000000000000        138.99999781671815        163.19999867819885        3.4026067033414158        3.5845299715403773        6391.4812628444561        6747.5166896460360       -24.200000861480703       -24.200000000000017       -8.6148068589864124E-007
 Changed q   1.5487044649797779        1.5487042300283835     
 before goinv   130.90000000000001        9.9999997764825821E-003   129.90000002235175        131.89999997764826     
 Changed Go   130.90000000000001        130.90000000000001     
 Changed Gop   2.1466846199895233        2.1466845237251784     
 Changed eta   2.5612343945331402        2.5612333843325206       -30.500000000000014        1500.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: pe             2
 Theta   2.1852072472938744E-004
 Vo   0.0000000000000000        44.975999999999999        44.975999999999999     
 Gamma   3.4735036980038103E-007
 q   2.3495139434004386E-007
 eta   1.0102006195999991E-006
 Ko   1.3845666529732625E-005
 Kop   2.7449409367719113E-007
 Go   0.0000000000000000     
 Gop   9.6264344939811508E-008
pe    44.98 161.14   3.91 770.90   1.45   1.55 130.90   2.15   2.56
 After Vo block
 Changed Ko adiab   161.14392918464196        161.14392786285046     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.60000112660808902     
 Changed Kop compress   3.9083784570126592        3.9083784832175361     
 Changed theta cal   770.90151469717716        770.90152590264915       -0.0000000000000000        328.82774408915054        328.82774698967933       -2.9005287842664984E-006   0.0000000000000000        1000.0000000000000      pe                                                                              
 gaminv   1.4493344257237766        1273.0000000000000        46.829896185582079        46.829896185582079        44.975999999999999        44.979966689675074        1.0411278538436901        1.0411609755941325       -3.3121750442344222E-005
 gaminv   1.4513344258187715        1273.0000000000000        46.832881916917096        46.832881916917096        44.975999999999999        44.979972165739085        1.0411941062202204        1.0411609755941325        3.3130626087896076E-005
 gaminv   1.4493344257237766        1273.0000000000000        46.829896185582079        46.829896185582079        44.975999999999999        44.979966689675081        1.0411278538436899        1.0411609755941325       -3.3121750442566267E-005
 gaminv   1.4513344258187715        1273.0000000000000        46.832881916917096        46.832881916917096        44.975999999999999        44.979972165739085        1.0411941062202204        1.0411609755941325        3.3130626087896076E-005
 gaminv   1.4503342918040685        1273.0000000000000        46.831388658773072        46.831388658773072        44.975999999999999        44.979969427339348        1.0411609713168992        1.0411609755941325       -4.2772332342622121E-009
 gaminv   1.4503344209234716        1273.0000000000000        46.831388851530981        46.831388851530981        44.975999999999999        44.979969427692893        1.0411609755941325        1.0411609755941325        0.0000000000000000     
 Changed gamma   1.4503344209234716        1.4503344257712740     
 qinv final   1.4487044602300327        0.0000000000000000        1500.0000000000000        139.98488125622524        163.20000000352357        3.4038031374570350        3.5845299715403769        6412.9573187031410        6747.5167170438635       -23.215118747298334       -24.200000000000017       0.98488125270168325     
 qinv final   1.6487044697295230        0.0000000000000000        1500.0000000000000        138.00919451731741        163.20000000352357        3.4013884748671686        3.5845299715403773        6369.8014103385021        6747.5167170438626       -25.190805486206159       -24.200000000000017      -0.99080548620614195     
   1.4487044602300327        1.6487044697295230     
 qinv final   1.4487044602300327        0.0000000000000000        1500.0000000000000        139.98488125622524        163.20000000352346        3.4038031374570350        3.5845299715403764        6412.9573187031410        6747.5167170438608       -23.215118747298220       -24.200000000000017       0.98488125270179694     
 qinv final   1.6487044697295230        0.0000000000000000        1500.0000000000000        138.00919451731741        163.20000000352357        3.4013884748671686        3.5845299715403773        6369.8014103385021        6747.5167170438626       -25.190805486206159       -24.200000000000017      -0.99080548620614195     
 qinv final   1.5484046080404634        0.0000000000000000        1500.0000000000000        139.00296228691994        163.20000000352346        3.4026103265081620        3.5845299715403764        6391.5460155130713        6747.5167170438608       -24.197037716603518       -24.200000000000017        2.9622833964992878E-003
 qinv final   1.5487044899390574        0.0000000000000000        1500.0000000000000        139.00000005994025        163.20000000352357        3.4026067064147374        3.5845299715403769        6391.4813115317666        6747.5167170438635       -24.199999943583322       -24.200000000000017        5.6416695315419929E-008
 qinv final   1.5487045828618236        0.0000000000000000        1500.0000000000000        138.99999914204275        163.20000000352357        3.4026067052929680        3.5845299715403773        6391.4812914820095        6747.5167170438626       -24.200000861480817       -24.200000000000017       -8.6148079958547896E-007
 Changed q   1.5487044899390574        1.5487044649797779     
 before goinv   130.90000000000001        9.9999997764825821E-003   129.90000002235175        131.89999997764826     
 Changed Go   130.90000000000001        130.90000000000001     
 Changed Gop   2.1466846107995421        2.1466846199895233     
 Changed eta   2.5612344169153651        2.5612343945331402       -30.500000000000014        1500.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: pe             3
 Theta   1.1205471992070670E-005
 Vo   0.0000000000000000        44.975999999999999        44.975999999999999     
 Gamma   4.8478023817466465E-009
 q   2.4959279532055234E-008
 eta   2.2382224962314012E-008
 Ko   1.3217915011409787E-006
 Kop   2.6204876935054244E-008
 Go   0.0000000000000000     
 Gop   9.1899812204587761E-009
pe    44.98 161.14   3.91 770.90   1.45   1.55 130.90   2.15   2.56
 After Vo block
 Changed Ko adiab   161.14392918110877        161.14392918464196     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.60000112660808902     
 Changed Kop compress   3.9083784570827071        3.9083784570126592     
 Changed theta cal   770.90151429724017        770.90151469717716       -0.0000000000000000        328.82774688615592        328.82774698967933       -1.0352340495956014E-007   0.0000000000000000        1000.0000000000000      pe                                                                              
 gaminv   1.4493344208759742        1273.0000000000000        46.829896180873000        46.829896180873000        44.975999999999999        44.979966689663094        1.0411278537392745        1.0411609755941325       -3.3121854857931510E-005
 gaminv   1.4513344209709691        1273.0000000000000        46.832881912213587        46.832881912213587        44.975999999999999        44.979972165727084        1.0411941061159291        1.0411609755941325        3.3130521796653767E-005
 gaminv   1.4493344208759742        1273.0000000000000        46.829896180873000        46.829896180873000        44.975999999999999        44.979966689663080        1.0411278537392750        1.0411609755941325       -3.3121854857487421E-005
 gaminv   1.4513344209709691        1273.0000000000000        46.832881912213587        46.832881912213587        44.975999999999999        44.979972165727084        1.0411941061159291        1.0411609755941325        3.3130521796653767E-005
 gaminv   1.4503342901064351        1273.0000000000000        46.831388658769562        46.831388658769562        44.975999999999999        44.979969427335980        1.0411609713168992        1.0411609755941325       -4.2772332342622121E-009
 gaminv   1.4503344192258378        1273.0000000000000        46.831388851527471        46.831388851527471        44.975999999999999        44.979969427689504        1.0411609755941329        1.0411609755941325        4.4408920985006262E-016
 Changed gamma   1.4503344192258378        1.4503344209234716     
 qinv final   1.4487044851893123        0.0000000000000000        1500.0000000000000        139.98488101880164        163.19999999579377        3.4038031373889148        3.5845299715403769        6412.9573133289123        6747.5167168840690       -23.215118976992130       -24.200000000000017       0.98488102300788682     
 qinv final   1.6487044946888025        0.0000000000000000        1500.0000000000000        138.00919428069776        163.19999999579377        3.4013884747960228        3.5845299715403773        6369.8014049445410        6747.5167168840680       -25.190805715096019       -24.200000000000017      -0.99080571509600190     
   1.4487044851893123        1.6487044946888025     
 qinv final   1.4487044851893123        0.0000000000000000        1500.0000000000000        139.98488101880164        163.19999999579366        3.4038031373889148        3.5845299715403764        6412.9573133289123        6747.5167168840671       -23.215118976992017       -24.200000000000017       0.98488102300800051     
 qinv final   1.6487044946888025        0.0000000000000000        1500.0000000000000        138.00919428069776        163.19999999579377        3.4013884747960228        3.5845299715403773        6369.8014049445410        6747.5167168840680       -25.190805715096019       -24.200000000000017      -0.99080571509600190     
 qinv final   1.5484046097882651        0.0000000000000000        1500.0000000000000        139.00296227918591        163.19999999579366        3.4026103267187580        3.5845299715403764        6391.5460151374664        6747.5167168840671       -24.197037716607753       -24.200000000000017        2.9622833922644531E-003
 qinv final   1.5487044916869699        0.0000000000000000        1500.0000000000000        139.00000005221042        163.19999999579377        3.4026067066253431        3.5845299715403769        6391.4813111562480        6747.5167168840690       -24.199999943583350       -24.200000000000017        5.6416666893710499E-008
 qinv final   1.5487045846097360        0.0000000000000000        1500.0000000000000        138.99999913431307        163.19999999579377        3.4026067055035742        3.5845299715403773        6391.4812911064946        6747.5167168840680       -24.200000861480703       -24.200000000000017       -8.6148068589864124E-007
 Changed q   1.5487044916869699        1.5487044899390574     
 before goinv   130.90000000000001        9.9999997764825821E-003   129.90000002235175        131.89999997764826     
 Changed Go   130.90000000000001        130.90000000000001     
 Changed Gop   2.1466846108241082        2.1466846107995421     
 Changed eta   2.5612344215245324        2.5612344169153651       -30.500000000000014        1500.0000000000000        0.0000000000000000     
wu    49.02 160.70   4.00 454.18   1.45   1.55  59.00   1.45   0.07
 After Vo block
   150.70000022351741        170.69999977648257     
 Changed Ko isoth   160.69999999999999        160.69999999999999     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed theta cal   454.17518117875346        454.17520000000002       -0.0000000000000000        324.17032405674104        324.17033232608208       -8.2693410377032706E-006   0.0000000000000000        450.00000000000000      wu                                                                              
 Changed gamma intraphase   1.4503344192258378     
 Changed q intraphase   1.5487044916869699     
 before goinv   59.000000000000000        9.9999997764825821E-003   58.000000022351742        59.999999977648258     
 Changed Go   59.000000000000000        59.000000000000000     
 Changed Gop   1.4476426692478104        1.4476400000000000     
 Changed eta systematics   6.7763160848706913E-002   6.7760000000000001E-002  -6.1950002461671829        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: wu             1
 Theta   1.8821246555944526E-005
 Vo   0.0000000000000000        49.024000000000001        49.024000000000001     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   3.1608487069123559E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   2.6692478103385042E-006
wu    49.02 160.70   4.00 454.18   1.45   1.55  59.00   1.45   0.07
 After Vo block
   150.70000022351741        170.69999977648257     
 Changed Ko isoth   160.69999999999999        160.69999999999999     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed theta cal   454.17520049366345        454.17518117875346       -0.0000000000000000        324.17034081232009        324.17033232608208        8.4862380163031048E-006   0.0000000000000000        450.00000000000000      wu                                                                              
 Changed gamma intraphase   1.4503344192258378     
 Changed q intraphase   1.5487044916869699     
 before goinv   59.000000000000000        9.9999997764825821E-003   58.000000022351742        59.999999977648258     
 Changed Go   59.000000000000000        59.000000000000000     
 Changed Gop   1.4476426692478128        1.4476426692478104     
 Changed eta systematics   6.7763166828675045E-002   6.7763160848706913E-002  -6.1950002461671829        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: wu             2
 Theta   1.9314909991408058E-005
 Vo   0.0000000000000000        49.024000000000001        49.024000000000001     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   5.9799681317862508E-009
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   2.4424906541753444E-015
wu    49.02 160.70   4.00 454.18   1.45   1.55  59.00   1.45   0.07
 After Vo block
   150.70000022351741        170.69999977648257     
 Changed Ko isoth   160.69999999999999        160.69999999999999     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed theta cal   454.17520140850507        454.17520049366345       -0.0000000000000000        324.17033272802871        324.17033232608208        4.0194663597503677E-007   0.0000000000000000        450.00000000000000      wu                                                                              
 Changed gamma intraphase   1.4503344192258378     
 Changed q intraphase   1.5487044916869699     
 before goinv   59.000000000000000        9.9999997764825821E-003   58.000000022351742        59.999999977648258     
 Changed Go   59.000000000000000        59.000000000000000     
 Changed Gop   1.4476426692478128        1.4476426692478128     
 Changed eta systematics   6.7763167111916309E-002   6.7763166828675045E-002  -6.1950002461671829        300.00000000000000        1000.0000000000000        0.0000000000000000     
wuls  43.40 199.70   4.00 524.58   1.45   1.55  59.00   1.44  -0.14
 volinv          50   0.0000000000000000        300.00000000000000        43.389700000223520        43.389700000223520        43.399695999999999       -9.9959997764784703E-003
 volinv          50   0.0000000000000000        300.00000000000000        43.409699999776485        43.409699999776478        43.399695999999999        1.0003999776479588E-002
 volinv          50   0.0000000000000000        300.00000000000000        43.389700000223520        43.389700000223520        43.399695999999999       -9.9959997764784703E-003
 volinv          50   0.0000000000000000        300.00000000000000        43.409699999776485        43.409699999776478        43.399695999999999        1.0003999776479588E-002
 volinv          50   0.0000000000000000        300.00000000000000        43.399695999999999        43.399696000000006        43.399695999999999        7.1054273576010019E-015
 volinv          50   0.0000000000000000        300.00000000000000        43.399693396017831        43.399693396017824        43.399695999999999       -2.6039821747758651E-006
 Changed Vo   43.399695999999999        43.399700000000003     
 After Vo block
   189.70000022351741        209.69999977648257     
 Changed Ko isoth   199.69999999999999        199.69999999999999     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed gamma intraphase   1.4503344192258378     
 Changed q intraphase   1.5487044916869699     
 before goinv   59.000000000000000        9.9999997764825821E-003   58.000000022351742        59.999999977648258     
 Changed Go   59.000000000000000        59.000000000000000     
 Changed Gop   1.4407311318619749        1.4407300000000001     
 Changed eta systematics -0.13800726006680455      -0.13800999999999999       -6.1950002461671829        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: wuls           1
 Theta   0.0000000000000000     
 Vo   4.0000000041118255E-006   43.399695999999999        43.399700000000003     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.7399331954391926E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   1.1318619748124092E-006
wuls  43.40 199.70   4.00 524.58   1.45   1.55  59.00   1.44  -0.14
 After Vo block
   189.70000022351741        209.69999977648257     
 Changed Ko isoth   199.69999999999999        199.69999999999999     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed gamma intraphase   1.4503344192258378     
 Changed q intraphase   1.5487044916869699     
 before goinv   59.000000000000000        9.9999997764825821E-003   58.000000022351742        59.999999977648258     
 Changed Go   59.000000000000000        59.000000000000000     
 Changed Gop   1.4407311318619760        1.4407311318619749     
 Changed eta systematics -0.13800726006680455      -0.13800726006680455       -6.1950002461671829        300.00000000000000        1000.0000000000000        0.0000000000000000     
anao  45.42 161.14   3.91 753.50   1.45   1.55 108.46   2.15   0.78
 After Vo block
 Changed Ko intraphase   161.14392918110877        161.14393000000001     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   3.9083784570827071        3.9083800000000002               51          48          18
 Changed gamma intraphase   1.4503344192258378     
 Changed q intraphase   1.5487044916869699     
 Changed G systematics   108.45590389696098     
 Changed Gop intraphase   2.1466846108241082     
 Changed eta systematics  0.78047094754011814       0.78047000000000000       -11.387870361694196        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: anao           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        45.420000000000002        45.420000000000002     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   9.4754011814579542E-007
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.8969609761352331E-006
 Gop   0.0000000000000000     
anao  45.42 161.14   3.91 753.50   1.45   1.55 108.46   2.15   0.78
 After Vo block
 Changed Ko intraphase   161.14392918110877        161.14392918110877     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   3.9083784570827071        3.9083784570827071               51          48          18
 Changed gamma intraphase   1.4503344192258378     
 Changed q intraphase   1.5487044916869699     
 Changed G systematics   108.45590389696099     
 Changed Gop intraphase   2.1466846108241082     
 Changed eta systematics  0.78047094754012303       0.78047094754011814       -11.387870361694198        300.00000000000000        1000.0000000000000        0.0000000000000000     
mag   44.53 183.97   5.25 520.10   1.32   1.55  60.30  -0.05   2.43
 After Vo block
 Changed Ko adiab   183.96571781928293        183.96571000000000     
 Changed Kop adiabatic   5.2457268468548879        5.2457300000000000     
 Changed theta cal   520.10175554433681        520.10184000000004       -0.0000000000000000        391.07237378300306        391.07240213570174       -2.8352698677736043E-005   0.0000000000000000        1000.0000000000000      mag                                                                             
 gaminv   1.3201499999525026        1073.0000000000000        45.541272143522946        45.541272143522946        44.527999999999999        44.525836163384980        1.0228055454458369        1.0228245838714323       -1.9038425595363506E-005
 gaminv   1.3221500000474975        1073.0000000000000        45.542957740922091        45.542957740922091        44.527999999999999        44.525832885922384        1.0228434773495565        1.0228245838714323        1.8893478124226704E-005
 gaminv   1.3201499999525026        1073.0000000000000        45.541272143522946        45.541272143522946        44.527999999999999        44.525836163384987        1.0228055454458367        1.0228245838714323       -1.9038425595585551E-005
 gaminv   1.3221500000474975        1073.0000000000000        45.542957740922091        45.542957740922091        44.527999999999999        44.525832885922384        1.0228434773495565        1.0228245838714323        1.8893478124226704E-005
 gaminv   1.3211538212550396        1073.0000000000000        45.542118095600095        45.542118095600095        44.527999999999999        44.525834518391399        1.0228245823621547        1.0228245838714323       -1.5092775917935342E-009
 gaminv   1.3211539008269544        1073.0000000000000        45.542118162663243        45.542118162663243        44.527999999999999        44.525834518260993        1.0228245838713130        1.0228245838714323       -1.1923795284474181E-013
 gaminv   1.3211539800966856        1073.0000000000000        45.542118229471711        45.542118229471711        44.527999999999999        44.525834518131099        1.0228245853747397        1.0228245838714323        1.5033074785009148E-009
 Changed gamma   1.3211539008269544        1.3211500000000000     
 Changed q intraphase   1.5487044916869699     
 before goinv   60.299999999999997        9.9999997764825821E-003   59.300000022351739        61.299999977648255     
 Changed Go   60.299999999999997        60.299999999999997     
 Changed Gop  -5.4656008503751533E-002  -5.4660000000000000E-002
 Changed eta systematics   2.4342922875772492        2.4342899999999998       -6.3315002515912058        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: mag            1
 Theta   8.4455663227345212E-005
 Vo   0.0000000000000000        44.527999999999999        44.527999999999999     
 Gamma   3.9008269543394647E-006
 q   0.0000000000000000     
 eta   2.2875772494046487E-006
 Ko   7.8192829278123099E-006
 Kop   3.1531451121225018E-006
 Go   0.0000000000000000     
 Gop   3.9914962484677297E-006
mag   44.53 183.97   5.25 520.10   1.32   1.55  60.30  -0.05   2.43
 After Vo block
 Changed Ko adiab   183.96570749664818        183.96571781928293     
 Changed Kop adiabatic   5.2457270508169005        5.2457268468548879     
 Changed theta cal   520.10184359675441        520.10175554433681       -0.0000000000000000        391.07243169587042        391.07240213570174        2.9560168684383825E-005   0.0000000000000000        1000.0000000000000      mag                                                                             
 gaminv   1.3201539007794569        1073.0000000000000        45.541275597177119        45.541275597177119        44.527999999999999        44.525836156975707        1.0228056231582374        1.0228245838714323       -1.8960713194848822E-005
 gaminv   1.3221539008744518        1073.0000000000000        45.542961196149349        45.542961196149349        44.527999999999999        44.525832879513111        1.0228435550972979        1.0228245838714323        1.8971225865582753E-005
 gaminv   1.3201539007794569        1073.0000000000000        45.541275597177119        45.541275597177119        44.527999999999999        44.525836156975707        1.0228056231582374        1.0228245838714323       -1.8960713194848822E-005
 gaminv   1.3221539008744518        1073.0000000000000        45.542961196149349        45.542961196149349        44.527999999999999        44.525832879513111        1.0228435550972979        1.0228245838714323        1.8971225865582753E-005
 gaminv   1.3211536236813222        1073.0000000000000        45.542118095912826        45.542118095912826        44.527999999999999        44.525834518698296        1.0228245823621285        1.0228245838714323       -1.5093037930569153E-009
 gaminv   1.3211537032609049        1073.0000000000000        45.542118162982447        45.542118162982447        44.527999999999999        44.525834518567883        1.0228245838714323        1.0228245838714323        0.0000000000000000     
 Changed gamma   1.3211537032609049        1.3211539008269544     
 Changed q intraphase   1.5487044916869699     
 before goinv   60.299999999999997        9.9999997764825821E-003   59.300000022351739        61.299999977648255     
 Changed Go   60.299999999999997        60.299999999999997     
 Changed Gop  -5.4656008335633222E-002  -5.4656008503751533E-002
 Changed eta systematics   2.4342923511441201        2.4342922875772492       -6.3315002515912058        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: mag            2
 Theta   8.8052417595463339E-005
 Vo   0.0000000000000000        44.527999999999999        44.527999999999999     
 Gamma   1.9756604952014811E-007
 q   0.0000000000000000     
 eta   6.3566870878162263E-008
 Ko   1.0322634750536963E-005
 Kop   2.0396201261263514E-007
 Go   0.0000000000000000     
 Gop   1.6811831093921370E-010
mag   44.53 183.97   5.25 520.10   1.32   1.55  60.30  -0.05   2.43
 After Vo block
 Changed Ko adiab   183.96570810014401        183.96570749664818     
 Changed Kop adiabatic   5.2457270440202999        5.2457270508169005     
 Changed theta cal   520.10184010041041        520.10184359675441       -0.0000000000000000        391.07240096194056        391.07240213570174       -1.1737611771422962E-006   0.0000000000000000        1000.0000000000000      mag                                                                             
 gaminv   1.3201537032134074        1073.0000000000000        45.541275427533165        45.541275427533165        44.527999999999999        44.525836157302443        1.0228056193407205        1.0228245838714323       -1.8964530711818028E-005
 gaminv   1.3221537033084023        1073.0000000000000        45.542961026446307        45.542961026446307        44.527999999999999        44.525832879839840        1.0228435512784533        1.0228245838714323        1.8967407021008853E-005
 gaminv   1.3201537032134074        1073.0000000000000        45.541275427533165        45.541275427533165        44.527999999999999        44.525836157302443        1.0228056193407205        1.0228245838714323       -1.8964530711818028E-005
 gaminv   1.3221537033084023        1073.0000000000000        45.542961026446307        45.542961026446307        44.527999999999999        44.525832879839840        1.0228435512784533        1.0228245838714323        1.8967407021008853E-005
 gaminv   1.3211536274327373        1073.0000000000000        45.542118095909572        45.542118095909572        44.527999999999999        44.525834518695113        1.0228245823621285        1.0228245838714323       -1.5093037930569153E-009
 gaminv   1.3211537070123203        1073.0000000000000        45.542118162979193        45.542118162979193        44.527999999999999        44.525834518564686        1.0228245838714325        1.0228245838714323        2.2204460492503131E-016
 Changed gamma   1.3211537070123203        1.3211537032609049     
 Changed q intraphase   1.5487044916869699     
 before goinv   60.299999999999997        9.9999997764825821E-003   59.300000022351739        61.299999977648255     
 Changed Go   60.299999999999997        60.299999999999997     
 Changed Gop  -5.4656008458622146E-002  -5.4656008335633222E-002
 Changed eta systematics   2.4342923495505162        2.4342923511441201       -6.3315002515912058        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: mag            3
 Theta   3.4963439929924789E-006
 Vo   0.0000000000000000        44.527999999999999        44.527999999999999     
 Gamma   3.7514154005435785E-009
 q   0.0000000000000000     
 eta   1.5936039154951231E-009
 Ko   6.0349583463903400E-007
 Kop   6.7966006156439107E-009
 Go   0.0000000000000000     
 Gop   1.2298892460016475E-010
mag   44.53 183.97   5.25 520.10   1.32   1.55  60.30  -0.05   2.43
 After Vo block
 Changed Ko adiab   183.96570808692769        183.96570810014401     
 Changed Kop adiabatic   5.2457270441498869        5.2457270440202999     
 Changed theta cal   520.10184014810829        520.10184010041041       -0.0000000000000000        391.07240215171441        391.07240213570174        1.6012677406251896E-008   0.0000000000000000        1000.0000000000000      mag                                                                             
 gaminv   1.3201537069648228        1073.0000000000000        45.541275430767982        45.541275430767982        44.527999999999999        44.525836157296190        1.0228056194135142        1.0228245838714323       -1.8964457918047017E-005
 gaminv   1.3221537070598177        1073.0000000000000        45.542961029682274        45.542961029682274        44.527999999999999        44.525832879833594        1.0228435513512730        1.0228245838714323        1.8967479840759083E-005
 gaminv   1.3201537069648228        1073.0000000000000        45.541275430767982        45.541275430767982        44.527999999999999        44.525836157296197        1.0228056194135142        1.0228245838714323       -1.8964457918047017E-005
 gaminv   1.3221537070598177        1073.0000000000000        45.542961029682274        45.542961029682274        44.527999999999999        44.525832879833594        1.0228435513512730        1.0228245838714323        1.8967479840759083E-005
 gaminv   1.3211536273453421        1073.0000000000000        45.542118095909615        45.542118095909615        44.527999999999999        44.525834518695142        1.0228245823621287        1.0228245838714323       -1.5093035710123104E-009
 gaminv   1.3211537069249133        1073.0000000000000        45.542118162979229        45.542118162979229        44.527999999999999        44.525834518564750        1.0228245838714318        1.0228245838714323       -4.4408920985006262E-016
 gaminv   1.3211537861946330        1073.0000000000000        45.542118229787697        45.542118229787697        44.527999999999999        44.525834518434849        1.0228245853748588        1.0228245838714323        1.5034264944091547E-009
 Changed gamma   1.3211537069249133        1.3211537070123203     
 Changed q intraphase   1.5487044916869699     
 before goinv   60.299999999999997        9.9999997764825821E-003   59.300000022351739        61.299999977648255     
 Changed Go   60.299999999999997        60.299999999999997     
 Changed Gop  -5.4656008455505042E-002  -5.4656008458622146E-002
 Changed eta systematics   2.4342923495744309        2.4342923495505162       -6.3315002515912058        300.00000000000000        1000.0000000000000        0.0000000000000000     
mgcf  36.13 213.00   4.10 831.14   1.57   1.00 129.70   1.94   1.30
 After Vo block
   203.00000022351742        222.99999977648258     
 Changed Ko isoth   213.00000000000000        213.00000000000000     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 gaminv   1.5657199999525024        1000.0000000000000        36.998335539999978        36.998335539999978        36.134999999999998        36.128754812436277        1.0240689371133369        1.0240855050553819       -1.6567942044964923E-005
 gaminv   1.5677200000474973        1000.0000000000000        36.999525639590161        36.999525639590161        36.134999999999998        36.128746841461513        1.0241021035672717        1.0240855050553819        1.6598511889842626E-005
 gaminv   1.5657199999525024        1000.0000000000000        36.998335539999978        36.998335539999978        36.134999999999998        36.128754812436277        1.0240689371133369        1.0240855050553819       -1.6567942044964923E-005
 gaminv   1.5677200000474973        1000.0000000000000        36.999525639590161        36.999525639590161        36.134999999999998        36.128746841461513        1.0241021035672717        1.0240855050553819        1.6598511889842626E-005
 gaminv   1.5667190782901785        1000.0000000000000        36.998930009928721        36.998930009928721        36.134999999999998        36.128750830619843        1.0240855041844232        1.0240855050553819       -8.7095863854358413E-010
 gaminv   1.5667191722938199        1000.0000000000000        36.998930065865565        36.998930065865565        36.134999999999998        36.128750830245195        1.0240855057433067        1.0240855050553819        6.8792482821322665E-010
 Changed gamma   1.5667191722938199        1.5667199999999999     
 q will not be changed intraphase
 before goinv   129.69999999999999        9.9999997764825821E-003   128.70000002235173        130.69999997764825     
 Changed Go   129.69999999999999        129.69999999999999     
 Changed Gop   1.9359125280393030        1.9359100000000000     
 Changed eta systematics   1.3030204407563488        1.3030200000000001       -13.618500541150569        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: mgcf           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        36.134999999999998        36.134999999999998     
 Gamma   8.2770618003991103E-007
 q   0.0000000000000000     
 eta   4.4075634875184733E-007
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   2.5280393030069348E-006
mgcf  36.13 213.00   4.10 831.14   1.57   1.00 129.70   1.94   1.30
 After Vo block
   203.00000022351742        222.99999977648258     
 Changed Ko isoth   213.00000000000000        213.00000000000000     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 gaminv   1.5657191722463224        1000.0000000000000        36.998335047525622        36.998335047525622        36.134999999999998        36.128754815735086        1.0240689233887410        1.0240855050553819       -1.6581666640869130E-005
 gaminv   1.5677191723413173        1000.0000000000000        36.999525147011838        36.999525147011838        36.134999999999998        36.128746844760329        1.0241020898397919        1.0240855050553819        1.6584784410023090E-005
 gaminv   1.5657191722463224        1000.0000000000000        36.998335047525622        36.998335047525622        36.134999999999998        36.128754815735086        1.0240689233887410        1.0240855050553819       -1.6581666640869130E-005
 gaminv   1.5677191723413173        1000.0000000000000        36.999525147011838        36.999525147011838        36.134999999999998        36.128746844760329        1.0241020898397919        1.0240855050553819        1.6584784410023090E-005
 gaminv   1.5667190782901141        1000.0000000000000        36.998930009928692        36.998930009928692        36.134999999999998        36.128750830619843        1.0240855041844223        1.0240855050553819       -8.7095952672200383E-010
 gaminv   1.5667191722937555        1000.0000000000000        36.998930065865522        36.998930065865522        36.134999999999998        36.128750830245195        1.0240855057433056        1.0240855050553819        6.8792371799020202E-010
 Changed gamma   1.5667191722937555        1.5667191722938199     
 q will not be changed intraphase
 before goinv   129.69999999999999        9.9999997764825821E-003   128.70000002235173        130.69999997764825     
 Changed Go   129.69999999999999        129.69999999999999     
 Changed Gop   1.9359125280393032        1.9359125280393030     
 Changed eta systematics   1.3030204407565287        1.3030204407563488       -13.618500541150569        300.00000000000000        1000.0000000000000        0.0000000000000000     
fecf  37.22 213.00   4.10 734.08   1.57   1.00 159.71   1.94   2.34
 After Vo block
 Changed Ko intraphase   213.00000000000000        213.00000000000000     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.0999999999999996        4.0999999999999996               54          53          19
 Changed gamma intraphase   1.5667191722937555     
 q will not be changed intraphase
 Changed G systematics   159.70964686712810     
 Changed Gop intraphase   1.9359125280393032     
 Changed eta systematics   2.3416321122615069        2.3416299999999999       -16.769513587409026        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fecf           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        37.216000000000001        37.216000000000001     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.1122615070368056E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.1328719103385083E-006
 Gop   0.0000000000000000     
fecf  37.22 213.00   4.10 734.08   1.57   1.00 159.71   1.94   2.34
 After Vo block
 Changed Ko intraphase   213.00000000000000        213.00000000000000     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.0999999999999996        4.0999999999999996               54          53          19
 Changed gamma intraphase   1.5667191722937555     
 q will not be changed intraphase
 Changed G systematics   159.70964686712810     
 Changed Gop intraphase   1.9359125280393032     
 Changed eta systematics   2.3416321122615069        2.3416321122615069       -16.769513587409026        300.00000000000000        1000.0000000000000        0.0000000000000000     
nacf  36.27 220.00   4.10 683.32   1.57   1.00 135.33   1.94   1.37
 After Vo block
   210.00000022351742        229.99999977648258     
 Changed Ko isoth   220.00000000000000        220.00000000000000     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed gamma intraphase   1.5667191722937555     
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          55          61          61   17.598399999999998        17.598399999999998     
 Changed q default   1.0000000000000000     
 before goinv   135.32661999999999        9.9999997764825821E-003   134.32662002235173        136.32661997764825     
 Changed Go   135.32662969807447        135.32661999999999     
 Changed Gop intraphase   1.9359125280393032     
 Changed eta systematics   1.3682745720630691        1.3682700000000001       -14.209296682924517        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: nacf           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        36.270000000000003        36.270000000000003     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   4.5720630690304631E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   9.6980744785923889E-006
 Gop   0.0000000000000000     
nacf  36.27 220.00   4.10 683.32   1.57   1.00 135.33   1.94   1.37
 After Vo block
   210.00000022351742        229.99999977648258     
 Changed Ko isoth   220.00000000000000        220.00000000000000     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed gamma intraphase   1.5667191722937555     
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          55          61          61   17.598399999999998        17.598399999999998     
 Changed q default   1.0000000000000000     
 before goinv   135.32662969807447        9.9999997764825821E-003   134.32662972042621        136.32662967572273     
 Changed Go   135.32661451897766        135.32662969807447     
 Changed Gop intraphase   1.9359125280393032     
 Changed eta systematics   1.3682740838262970        1.3682745720630691       -14.209295089119291        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: nacf           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        36.270000000000003        36.270000000000003     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   4.8823677212261885E-007
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   1.5179096806150483E-005
 Gop   0.0000000000000000     
nacf  36.27 220.00   4.10 683.32   1.57   1.00 135.33   1.94   1.37
 After Vo block
   210.00000022351742        229.99999977648258     
 Changed Ko isoth   220.00000000000000        220.00000000000000     
 Changed Kop isoth one   4.0999999999999996        4.0999999999999996     
 Changed gamma intraphase   1.5667191722937555     
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          55          61          61   17.598399999999998        17.598399999999998     
 Changed q default   1.0000000000000000     
 before goinv   135.32661451897766        9.9999997764825821E-003   134.32661454132941        136.32661449662592     
 Changed Go   135.32661539507430        135.32661451897766     
 Changed Gop intraphase   1.9359125280393032     
 Changed eta systematics   1.3682741120060111        1.3682740838262970       -14.209295181109441        300.00000000000000        1000.0000000000000        0.0000000000000000     
hmag  41.70 172.00   4.00 533.18   1.57   1.00 108.73   1.94   0.90
 After Vo block
   162.00000022351742        181.99999977648258     
 Changed Ko isoth   171.99999999999977        172.00000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed gamma intraphase   1.5667191722937555     
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          56          52          52   2.8260000000000005        2.8260000000000005     
 Changed q default   1.0000000000000000     
 Changed G systematics   108.73072625673409     
 Changed Gop intraphase   1.9359125280393032     
 Changed eta systematics  0.90476553950379590       0.90476999999999996       -11.416726710617020        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: hmag           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        41.701999999999998        41.701999999999998     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   4.4604962040617480E-006
 Ko   2.2737367544323206E-013
 Kop   0.0000000000000000     
 Go   3.7432659070191221E-006
 Gop   0.0000000000000000     
hmag  41.70 172.00   4.00 533.18   1.57   1.00 108.73   1.94   0.90
 After Vo block
   162.00000022351719        181.99999977648235     
 Changed Ko isoth   172.00000000000000        171.99999999999977     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed gamma intraphase   1.5667191722937555     
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          56          52          52   2.8260000000000005        2.8260000000000005     
 Changed q default   1.0000000000000000     
 Changed G systematics   108.73072625673409     
 Changed Gop intraphase   1.9359125280393032     
 Changed eta systematics  0.90476553950379091       0.90476553950379590       -11.416726710617020        300.00000000000000        1000.0000000000000        0.0000000000000000     
mnal 109.88 204.00   4.32 858.38   1.43   1.00 129.00   1.74   1.93
 volinv          57   0.0000000000000000        300.00000000000000        109.87300000022351        109.87300000022353        109.88300000000001       -9.9999997764825821E-003
 volinv          57   0.0000000000000000        300.00000000000000        109.89299999977648        109.89299999977646        109.88300000000001        9.9999997764541604E-003
 volinv          57   0.0000000000000000        300.00000000000000        109.87300000022351        109.87300000022353        109.88300000000001       -9.9999997764825821E-003
 volinv          57   0.0000000000000000        300.00000000000000        109.89299999977648        109.89299999977646        109.88300000000001        9.9999997764541604E-003
 volinv          57   0.0000000000000000        300.00000000000000        109.88300000000001        109.88300000000002        109.88300000000001        1.4210854715202004E-014
 volinv          57   0.0000000000000000        300.00000000000000        109.88299340701974        109.88299340701975        109.88300000000001       -6.5929802559594464E-006
 Changed Vo   109.88300000000001        109.88300000000000     
 After Vo block
 Changed Ko adiab   203.99500974916893        203.99501000000001     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.88838248849857349     
 Changed Kop compress   4.3188379773760142        4.3188399999999998     
 gaminv   1.4287099999525026        1900.0000000000000        116.41121416373123        116.41121416373123        109.88300000000001        109.88300000000001        1.0594105927553055        1.0594606946286675       -5.0101873362073945E-005
 gaminv   1.4307100000474975        1900.0000000000000        116.42221443056651        116.42221443056651        109.88300000000001        109.88300000000001        1.0595107016605525        1.0594606946286675        5.0007031884957698E-005
 gaminv   1.4287099999525026        1900.0000000000000        116.41121416373123        116.41121416373123        109.88300000000001        109.88300000000001        1.0594105927553055        1.0594606946286675       -5.0101873362073945E-005
 gaminv   1.4307100000474975        1900.0000000000000        116.42221443056651        116.42221443056651        109.88300000000001        109.88300000000001        1.0595107016605525        1.0594606946286675        5.0007031884957698E-005
 gaminv   1.4297109473830665        1900.0000000000000        116.41671872006360        116.41671872006360        109.88300000000001        109.88300000000001        1.0594606874590573        1.0594606946286675       -7.1696102388330019E-009
 gaminv   1.4297110905987531        1900.0000000000000        116.41671950776920        116.41671950776920        109.88300000000001        109.88300000000001        1.0594606946276421        1.0594606946286675       -1.0254019855437946E-012
 gaminv   1.4297111763819155        1900.0000000000000        116.41671997958817        116.41671997958817        109.88300000000001        109.88300000000001        1.0594606989214725        1.0594606946286675        4.2928050003609997E-009
 Changed gamma   1.4297110905987531        1.4297100000000000     
 q will not be changed intraphase
 before goinv   129.00000000000000        9.9999997764825821E-003   128.00000002235174        129.99999997764826     
 Changed Go   129.00000000000000        129.00000000000000     
 Changed Gop   1.7423041082156145        1.7423000000000000     
 Changed eta systematics   1.9306947684454010        1.9306900000000000       -13.545000538229942        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: mnal           1
 Theta   0.0000000000000000     
 Vo   1.4210854715202004E-014   109.88300000000001        109.88300000000000     
 Gamma   1.0905987530840378E-006
 q   0.0000000000000000     
 eta   4.7684454009822019E-006
 Ko   2.5083107857426512E-007
 Kop   2.0226239856313555E-006
 Go   0.0000000000000000     
 Gop   4.1082156145844095E-006
mnal 109.88 204.00   4.32 858.38   1.43   1.00 129.00   1.74   1.93
 After Vo block
 Changed Ko adiab   203.99500669030988        203.99500974916893     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.88838248849857349     
 Changed Kop compress   4.3188382256827671        4.3188379773760142     
 gaminv   1.4287110905512557        1900.0000000000000        116.41122033320100        116.41122033320100        109.88300000000001        109.88300000000001        1.0594106489011130        1.0594606946286675       -5.0045727554515196E-005
 gaminv   1.4307110906462506        1900.0000000000000        116.42222060391131        116.42222060391131        109.88300000000001        109.88300000000001        1.0595107578416252        1.0594606946286675        5.0063212957640602E-005
 gaminv   1.4287110905512557        1900.0000000000000        116.41122033320100        116.41122033320100        109.88300000000001        109.88300000000001        1.0594106489011130        1.0594606946286675       -5.0045727554515196E-005
 gaminv   1.4307110906462506        1900.0000000000000        116.42222060391131        116.42222060391131        109.88300000000001        109.88300000000001        1.0595107578416252        1.0594606946286675        5.0063212957640602E-005
 gaminv   1.4297109159349932        1900.0000000000000        116.41671872006282        116.41671872006282        109.88300000000001        109.88300000000001        1.0594606874590502        1.0594606946286675       -7.1696173442603595E-009
 gaminv   1.4297110591713147        1900.0000000000000        116.41671950788192        116.41671950788192        109.88300000000001        109.88300000000002        1.0594606946286678        1.0594606946286675        2.2204460492503131E-016
 Changed gamma   1.4297110591713147        1.4297110905987531     
 q will not be changed intraphase
 before goinv   129.00000000000000        9.9999997764825821E-003   128.00000002235174        129.99999997764826     
 Changed Go   129.00000000000000        129.00000000000000     
 Changed Gop   1.7423041201809473        1.7423041082156145     
 Changed eta systematics   1.9306948093682217        1.9306947684454010       -13.545000538229942        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: mnal           2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        109.88300000000001        109.88300000000001     
 Gamma   3.1427438429432186E-008
 q   0.0000000000000000     
 eta   4.0922820687683270E-008
 Ko   3.0588590504976310E-006
 Kop   2.4830675293685545E-007
 Go   0.0000000000000000     
 Gop   1.1965332724628297E-008
mnal 109.88 204.00   4.32 858.38   1.43   1.00 129.00   1.74   1.93
 After Vo block
 Changed Ko adiab   203.99500677845606        203.99500669030988     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement  0.88838248849857349     
 Changed Kop compress   4.3188382185274072        4.3188382256827671     
 gaminv   1.4287110591238172        1900.0000000000000        116.41122015541730        116.41122015541730        109.88300000000001        109.88300000000001        1.0594106472831766        1.0594606946286675       -5.0047345490966677E-005
 gaminv   1.4307110592188121        1900.0000000000000        116.42222042601597        116.42222042601597        109.88300000000001        109.88300000000001        1.0595107562226729        1.0594606946286675        5.0061594005335053E-005
 gaminv   1.4287110591238172        1900.0000000000000        116.41122015541730        116.41122015541730        109.88300000000001        109.88300000000001        1.0594106472831766        1.0594606946286675       -5.0047345490966677E-005
 gaminv   1.4307110592188121        1900.0000000000000        116.42222042601597        116.42222042601597        109.88300000000001        109.88300000000001        1.0595107562226729        1.0594606946286675        5.0061594005335053E-005
 gaminv   1.4297109168412179        1900.0000000000000        116.41671872006283        116.41671872006283        109.88300000000001        109.88300000000001        1.0594606874590502        1.0594606946286675       -7.1696173442603595E-009
 gaminv   1.4297110600775393        1900.0000000000000        116.41671950788192        116.41671950788192        109.88300000000001        109.88300000000001        1.0594606946286678        1.0594606946286675        2.2204460492503131E-016
 Changed gamma   1.4297110600775393        1.4297110591713147     
 q will not be changed intraphase
 before goinv   129.00000000000000        9.9999997764825821E-003   128.00000002235174        129.99999997764826     
 Changed Go   129.00000000000000        129.00000000000000     
 Changed Gop   1.7423041198361469        1.7423041201809473     
 Changed eta systematics   1.9306948081877686        1.9306948093682217       -13.545000538229942        300.00000000000000        1000.0000000000000        0.0000000000000000     
fnal 112.05 204.00   4.32 795.29   1.43   1.00 149.59   1.74   2.66
 After Vo block
 Changed Ko intraphase   203.99500677845606        203.99501000000001     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.3188382185274072        4.3188399999999998               58          57          20
 Changed gamma intraphase   1.4297110600775393     
 q will not be changed intraphase
 Changed G systematics   149.59377074272342     
 Changed Gop intraphase   1.7423041198361469     
 Changed eta systematics   2.6593879723538616        2.6593900000000001       -15.707346552139811        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fnal           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        112.04500000000000        112.04500000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   2.0276461385471123E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   7.4272341521464114E-007
 Gop   0.0000000000000000     
fnal 112.05 204.00   4.32 795.29   1.43   1.00 149.59   1.74   2.66
 After Vo block
 Changed Ko intraphase   203.99500677845606        203.99500677845606     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.3188382185274072        4.3188382185274072               58          57          20
 Changed gamma intraphase   1.4297110600775393     
 q will not be changed intraphase
 Changed G systematics   149.59377074272342     
 Changed Gop intraphase   1.7423041198361469     
 Changed eta systematics   2.6593879723538616        2.6593879723538616       -15.707346552139811        300.00000000000000        1000.0000000000000        0.0000000000000000     
nnal 109.40 204.00   4.32 850.33   1.43   1.00 144.45   1.74   2.43
 After Vo block
 Changed Ko intraphase   203.99500677845606        203.99501000000001     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.3188382185274072        4.3188399999999998               59          57          20
 Changed gamma intraphase   1.4297110600775393     
 q will not be changed intraphase
 Changed G systematics   144.45101624019489     
 Changed Gop intraphase   1.7423041198361469     
 Changed eta systematics   2.4250195018746901        2.4250200000000000       -15.167357307917069        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: nnal           1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        109.40100000000000        109.40100000000000     
 Gamma   0.0000000000000000     
 q   0.0000000000000000     
 eta   4.9812530988901926E-007
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   3.7598051108034269E-006
 Gop   0.0000000000000000     
nnal 109.40 204.00   4.32 850.33   1.43   1.00 144.45   1.74   2.43
 After Vo block
 Changed Ko intraphase   203.99500677845606        203.99500677845606     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           3
 Changed Kop intraphase   4.3188382185274072        4.3188382185274072               59          57          20
 Changed gamma intraphase   1.4297110600775393     
 q will not be changed intraphase
 Changed G systematics   144.45101624019489     
 Changed Gop intraphase   1.7423041198361469     
 Changed eta systematics   2.4250195018746901        2.4250195018746901       -15.167357307917069        300.00000000000000        1000.0000000000000        0.0000000000000000     
ky    44.23 160.00   4.00 943.20   0.93   1.00 117.85   1.69   2.90
 After Vo block
   150.00000022351742        169.99999977648258     
 Changed Ko isoth   160.00000000000000        160.00000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed theta cal   943.19602963652085        943.19592999999998       -0.0000000000000000        285.05073057623360        285.05070949662513        2.1079608472973632E-005   0.0000000000000000        1000.0000000000000      ky                                                                              
 gaminv  0.92448999995250258        1223.0000000000000        45.239205652460328        45.239205652460328        44.226999999999997        44.224070398238808        1.0229543604892133        1.0229808527194024       -2.6492230189134602E-005
 gaminv  0.92649000004749749        1223.0000000000000        45.241549791167635        45.241549791167635        44.226999999999997        44.224064062162881        1.0230075130041087        1.0229808527194024        2.6660284706325754E-005
 gaminv  0.92448999995250258        1223.0000000000000        45.239205652460328        45.239205652460328        44.226999999999997        44.224070398238815        1.0229543604892131        1.0229808527194024       -2.6492230189356647E-005
 gaminv  0.92649000004749749        1223.0000000000000        45.241549791167635        45.241549791167635        44.226999999999997        44.224064062162881        1.0230075130041087        1.0229808527194024        2.6660284706325754E-005
 gaminv  0.92548683825825961        1223.0000000000000        45.240373918418435        45.240373918418435        44.226999999999997        44.224067240216272        1.0229808505102389        1.0229808527194024       -2.2091635187848624E-009
 gaminv  0.92548692138376387        1223.0000000000000        45.240374015847230        45.240374015847230        44.226999999999997        44.224067239952923        1.0229808527194024        1.0229808527194024        0.0000000000000000     
 Changed gamma  0.92548692138376387       0.92549000000000003     
 q will not be changed intraphase
 Changed G systematics   117.85452846523212     
 Changed Gop default   1.6941588115643254     
 Changed eta systematics   2.9037550288623755        2.9037500000000001       -12.374725980576784        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: ky             1
 Theta   9.9636520872081746E-005
 Vo   0.0000000000000000        44.226999999999997        44.226999999999997     
 Gamma   3.0786162361629010E-006
 q   0.0000000000000000     
 eta   5.0288623754113360E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   1.5347678754551453E-006
 Gop   0.0000000000000000     
ky    44.23 160.00   4.00 943.20   0.93   1.00 117.85   1.69   2.90
 After Vo block
   150.00000022351742        169.99999977648258     
 Changed Ko isoth   160.00000000000000        160.00000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed theta cal   943.19593820624311        943.19602963652085       -0.0000000000000000        285.05069015317122        285.05070949662513       -1.9343453914189013E-005   0.0000000000000000        1000.0000000000000      ky                                                                              
 gaminv  0.92448692133626642        1223.0000000000000        45.239202065474238        45.239202065474238        44.226999999999997        44.224070407758148        1.0229542791596589        1.0229808527194024       -2.6573559743559017E-005
 gaminv  0.92648692143126132        1223.0000000000000        45.241546203027525        45.241546203027525        44.226999999999997        44.224064071681696        1.0230074316484485        1.0229808527194024        2.6578929046117139E-005
 gaminv  0.92448692133626642        1223.0000000000000        45.239202065474238        45.239202065474238        44.226999999999997        44.224070407758155        1.0229542791596586        1.0229808527194024       -2.6573559743781061E-005
 gaminv  0.92648692143126132        1223.0000000000000        45.241546203027525        45.241546203027525        44.226999999999997        44.224064071681696        1.0230074316484485        1.0229808527194024        2.6578929046117139E-005
 gaminv  0.92548682036680840        1223.0000000000000        45.240373918236067        45.240373918236067        44.226999999999997        44.224067240038870        1.0229808505102187        1.0229808527194024       -2.2091837248439106E-009
 gaminv  0.92548690349307139        1223.0000000000000        45.240374015665751        45.240374015665751        44.226999999999997        44.224067239775515        1.0229808527194026        1.0229808527194024        2.2204460492503131E-016
 Changed gamma  0.92548690349307139       0.92548692138376387     
 q will not be changed intraphase
 Changed G systematics   117.85452846523212     
 Changed Gop default   1.6941588115643254     
 Changed eta systematics   2.9037549545656050        2.9037550288623755       -12.374725980576784        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: ky             2
 Theta   9.1430277734616539E-005
 Vo   0.0000000000000000        44.226999999999997        44.226999999999997     
 Gamma   1.7890692483035764E-008
 q   0.0000000000000000     
 eta   7.4296770513626598E-008
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
ky    44.23 160.00   4.00 943.20   0.93   1.00 117.85   1.69   2.90
 After Vo block
   150.00000022351742        169.99999977648258     
 Changed Ko isoth   160.00000000000000        160.00000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed theta cal   943.19593417718499        943.19593820624311       -0.0000000000000000        285.05070864421708        285.05070949662513       -8.5240804992281483E-007   0.0000000000000000        1000.0000000000000      ky                                                                              
 gaminv  0.92448690344557394        1223.0000000000000        45.239202045423596        45.239202045423596        44.226999999999997        44.224070407804525        1.0229542787051986        1.0229808527194024       -2.6574014203806229E-005
 gaminv  0.92648690354056884        1223.0000000000000        45.241546182972023        45.241546182972023        44.226999999999997        44.224064071728051        1.0230074311938788        1.0229808527194024        2.6578474476401936E-005
 gaminv  0.92448690344557394        1223.0000000000000        45.239202045423596        45.239202045423596        44.226999999999997        44.224070407804518        1.0229542787051988        1.0229808527194024       -2.6574014203584184E-005
 gaminv  0.92648690354056884        1223.0000000000000        45.241546182972023        45.241546182972023        44.226999999999997        44.224064071728051        1.0230074311938788        1.0229808527194024        2.6578474476401936E-005
 gaminv  0.92548681957841117        1223.0000000000000        45.240373918228052        45.240373918228052        44.226999999999997        44.224067240031047        1.0229808505102185        1.0229808527194024       -2.2091839468885155E-009
 gaminv  0.92548690270468248        1223.0000000000000        45.240374015657757        45.240374015657757        44.226999999999997        44.224067239767699        1.0229808527194026        1.0229808527194024        2.2204460492503131E-016
 Changed gamma  0.92548690270468248       0.92548690349307139     
 q will not be changed intraphase
 Changed G systematics   117.85452846523212     
 Changed Gop default   1.6941588115643254     
 Changed eta systematics   2.9037549512915577        2.9037549545656050       -12.374725980576784        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: ky             3
 Theta   4.0290581182489404E-006
 Vo   0.0000000000000000        44.226999999999997        44.226999999999997     
 Gamma   7.8838890971155706E-010
 q   0.0000000000000000     
 eta   3.2740472555303768E-009
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
ky    44.23 160.00   4.00 943.20   0.93   1.00 117.85   1.69   2.90
 After Vo block
   150.00000022351742        169.99999977648258     
 Changed Ko isoth   160.00000000000000        160.00000000000000     
 Changed Kop isoth one   4.0000000000000000        4.0000000000000000     
 Changed theta cal   943.19593399963651        943.19593417718499       -0.0000000000000000        285.05070945906209        285.05070949662513       -3.7563040677923709E-008   0.0000000000000000        1000.0000000000000      ky                                                                              
 gaminv  0.92448690265718503        1223.0000000000000        45.239202044540036        45.239202044540036        44.226999999999997        44.224070407806565        1.0229542786851722        1.0229808527194024       -2.6574034230231192E-005
 gaminv  0.92648690275217993        1223.0000000000000        45.241546182088236        45.241546182088236        44.226999999999997        44.224064071730105        1.0230074311738471        1.0229808527194024        2.6578454444647903E-005
 gaminv  0.92448690265718503        1223.0000000000000        45.239202044540036        45.239202044540036        44.226999999999997        44.224070407806558        1.0229542786851724        1.0229808527194024       -2.6574034230009147E-005
 gaminv  0.92648690275217993        1223.0000000000000        45.241546182088236        45.241546182088236        44.226999999999997        44.224064071730105        1.0230074311738471        1.0229808527194024        2.6578454444647903E-005
 gaminv  0.92548681954366863        1223.0000000000000        45.240373918227704        45.240373918227704        44.226999999999997        44.224067240030699        1.0229808505102187        1.0229808527194024       -2.2091837248439106E-009
 gaminv  0.92548690266993161        1223.0000000000000        45.240374015657395        45.240374015657395        44.226999999999997        44.224067239767351        1.0229808527194024        1.0229808527194024        0.0000000000000000     
 Changed gamma  0.92548690266993161       0.92548690270468248     
 q will not be changed intraphase
 Changed G systematics   117.85452846523212     
 Changed Gop default   1.6941588115643254     
 Changed eta systematics   2.9037549511473104        2.9037549512915577       -12.374725980576784        300.00000000000000        1000.0000000000000        0.0000000000000000     
neph  53.87  53.06   4.00 743.58   0.70   1.00  30.70   1.33   0.62
 volinv          61   0.0000000000000000        300.00000000000000        53.858400000223519        54.180001529950303        54.189999999999998       -9.9984700496946743E-003
 volinv          61   0.0000000000000000        300.00000000000000        53.878399999776484        54.200001529503275        54.189999999999998        1.0001529503277595E-002
 volinv          61   0.0000000000000000        300.00000000000000        53.858400000223519        54.180001529950317        54.189999999999998       -9.9984700496804635E-003
 volinv          61   0.0000000000000000        300.00000000000000        53.878399999776484        54.200001529503275        54.189999999999998        1.0001529503277595E-002
 volinv          61   0.0000000000000000        300.00000000000000        53.868398470273206        54.189999999999998        54.189999999999998        0.0000000000000000     
 Changed Vo   53.868398470273206        53.868400000000001     
 After Vo block
 Changed Ko adiab   53.055508785037809        53.055500000000002     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop default
 Changed theta cal   743.57967750708485        743.57984999999996       -0.0000000000000000        300.41882073727999        300.41886124125813       -4.0503978141259722E-005   0.0000000000000000        1000.0000000000000      neph                                                                            
 gaminv  0.69589999995250251        1423.0000000000000        57.424026297188796        57.424026297188796        53.868398470273206        54.183718350851855        1.0598022440127717        1.0598872133893980       -8.4969376626276016E-005
 gaminv  0.69790000004749742        1423.0000000000000        57.433190636667518        57.433190636667518        53.868398470273206        54.183708508053698        1.0599715711251256        1.0598872133893980        8.4357735727680350E-005
 gaminv  0.69589999995250251        1423.0000000000000        57.424026297188803        57.424026297188803        53.868398470273206        54.183718350851841        1.0598022440127721        1.0598872133893980       -8.4969376625831927E-005
 gaminv  0.69790000004749742        1423.0000000000000        57.433190636667518        57.433190636667518        53.868398470273206        54.183708508053698        1.0599715711251256        1.0598872133893980        8.4357735727680350E-005
 gaminv  0.69690361218542440        1423.0000000000000        57.428623856926777        57.428623856926777        53.868398470273206        54.183713411674141        1.0598871919426900        1.0598872133893980       -2.1446707965111500E-008
 gaminv  0.69690386543793148        1423.0000000000000        57.428625017374770        57.428625017374770        53.868398470273206        54.183713410427785        1.0598872133839852        1.0598872133893980       -5.4127813342574882E-012
 gaminv  0.69690390725266194        1423.0000000000000        57.428625208977309        57.428625208977309        53.868398470273206        54.183713410221998        1.0598872169241753        1.0598872133893980        3.5347773597038668E-009
 Changed gamma  0.69690386543793148       0.69689999999999996     
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          61          55          55   17.598398470273203        17.598398470273203     
 Changed q default   1.0000000000000000     
 before goinv   30.699999999999999        9.9999997764825821E-003   29.700000022351741        31.699999977648257     
 Changed Go   30.699999999999999        30.699999999999999     
 Changed Gop default   1.3308702555694398     
 Changed eta systematics  0.62409748284723865       0.62409999999999999       -3.2235001280903819        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: neph           1
 Theta   1.7249291511234333E-004
 Vo   1.5297267950131754E-006   53.868398470273206        53.868400000000001     
 Gamma   3.8654379315161691E-006
 q   0.0000000000000000     
 eta   2.5171527613387923E-006
 Ko   8.7850378065468249E-006
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
neph  53.87  53.06   4.00 743.58   0.70   1.00  30.70   1.33   0.62
 volinv          61   0.0000000000000000        300.00000000000000        53.858398470496724        54.180000000223508        54.189999999999998       -9.9999997764896875E-003
 volinv          61   0.0000000000000000        300.00000000000000        53.878398470049689        54.199999999776480        54.189999999999998        9.9999997764825821E-003
 volinv          61   0.0000000000000000        300.00000000000000        53.858398470496724        54.180000000223522        54.189999999999998       -9.9999997764754767E-003
 volinv          61   0.0000000000000000        300.00000000000000        53.878398470049689        54.199999999776487        54.189999999999998        9.9999997764896875E-003
 volinv          61   0.0000000000000000        300.00000000000000        53.868398470273199        54.189999999999991        54.189999999999998       -7.1054273576010019E-015
 volinv          61   0.0000000000000000        300.00000000000000        53.868401702377490        54.190003232104281        54.189999999999998        3.2321042837679670E-006
 Changed Vo   53.868398470273199        53.868398470273206     
 After Vo block
 Changed Ko adiab   53.055501815952319        53.055508785037809     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop default
 Changed theta cal   743.57984805660271        743.57967750708485       -0.0000000000000000        300.41890128889690        300.41886124125813        4.0047638776741223E-005   0.0000000000000000        1000.0000000000000      neph                                                                            
 gaminv  0.69590386539043403        1423.0000000000000        57.424044336721018        57.424044336721018        53.868398470273199        54.183718331806972        1.0598025773179893        1.0598872133893980       -8.4636071408628055E-005
 gaminv  0.69790386548542893        1423.0000000000000        57.433208695486201        57.433208695486201        53.868398470273199        54.183708489008794        1.0599719047864096        1.0598872133893980        8.4691397011615877E-005
 gaminv  0.69590386539043403        1423.0000000000000        57.424044336721018        57.424044336721018        53.868398470273199        54.183718331806979        1.0598025773179893        1.0598872133893980       -8.4636071408628055E-005
 gaminv  0.69790386548542893        1423.0000000000000        57.433208695486201        57.433208695486201        53.868398470273199        54.183708489008794        1.0599719047864096        1.0598872133893980        8.4691397011615877E-005
 gaminv  0.69690353870059740        1423.0000000000000        57.428623857267930        57.428623857267930        53.868398470273199        54.183713412014249        1.0598871919423334        1.0598872133893980       -2.1447064568747010E-008
 gaminv  0.69690379202122765        1423.0000000000000        57.428625018028185        57.428625018028185        53.868398470273199        54.183713410767560        1.0598872133893980        1.0598872133893980        0.0000000000000000     
 Changed gamma  0.69690379202122765       0.69690386543793148     
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          61          55          55   17.598398470273196        17.598398470273196     
 Changed q default   1.0000000000000000     
 before goinv   30.699999999999999        9.9999997764825821E-003   29.700000022351741        31.699999977648257     
 Changed Go   30.699999999999999        30.699999999999999     
 Changed Gop default   1.3308704303854018     
 Changed eta systematics  0.62409752214690795       0.62409748284723865       -3.2235001280903819        300.00000000000000        1000.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: neph           2
 Theta   1.7054951786121819E-004
 Vo   7.1054273576010019E-015   53.868398470273199        53.868398470273206     
 Gamma   7.3416703827433594E-008
 q   0.0000000000000000     
 eta   3.9299669296610773E-008
 Ko   6.9690854900272825E-006
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
neph  53.87  53.06   4.00 743.58   0.70   1.00  30.70   1.33   0.62
 volinv          61   0.0000000000000000        300.00000000000000        53.858398470496716        54.180000000223501        54.189999999999998       -9.9999997764967929E-003
 volinv          61   0.0000000000000000        300.00000000000000        53.878398470049682        54.199999999776473        54.189999999999998        9.9999997764754767E-003
 volinv          61   0.0000000000000000        300.00000000000000        53.858398470496716        54.180000000223515        54.189999999999998       -9.9999997764825821E-003
 volinv          61   0.0000000000000000        300.00000000000000        53.878398470049682        54.199999999776480        54.189999999999998        9.9999997764825821E-003
 volinv          61   0.0000000000000000        300.00000000000000        53.868398470273199        54.189999999999991        54.189999999999998       -7.1054273576010019E-015
 volinv          61   0.0000000000000000        300.00000000000000        53.868401702377490        54.190003232104281        54.189999999999998        3.2321042837679670E-006
 Changed Vo   53.868398470273199        53.868398470273199     
 After Vo block
 Changed Ko adiab   53.055501965866085        53.055501815952319     
 C  Isothermal block
 C  Pressure range sufficient to constrain Kop from EOS           1
 After else if statement   0.0000000000000000     
 Changed Kop default
 Changed theta cal   743.57984858642010        743.57984805660271       -0.0000000000000000        300.41886136566734        300.41886124125813        1.2440921182133025E-007   0.0000000000000000        1000.0000000000000      neph                                                                            
 gaminv  0.69590379197373020        1423.0000000000000        57.424043991301964        57.424043991301964        53.868398470273199        54.183718332179303        1.0598025709357466        1.0598872133893980       -8.4642453651362359E-005
 gaminv  0.69790379206872510        1423.0000000000000        57.433208349690801        57.433208349690801        53.868398470273199        54.183708489381146        1.0599718983972182        1.0598872133893980        8.4685007820217706E-005
 gaminv  0.69590379197373020        1423.0000000000000        57.424043991301964        57.424043991301964        53.868398470273199        54.183718332179296        1.0598025709357466        1.0598872133893980       -8.4642453651362359E-005
 gaminv  0.69790379206872510        1423.0000000000000        57.433208349690801        57.433208349690801        53.868398470273199        54.183708489381146        1.0599718983972182        1.0598872133893980        8.4685007820217706E-005
 gaminv  0.69690354070835436        1423.0000000000000        57.428623857269173        57.428623857269173        53.868398470273199        54.183713412015393        1.0598871919423338        1.0598872133893980       -2.1447064124657800E-008
 gaminv  0.69690379402898017        1423.0000000000000        57.428625018029415        57.428625018029415        53.868398470273199        54.183713410768704        1.0598872133893984        1.0598872133893980        4.4408920985006262E-016
 gaminv  0.69690375221425405        1423.0000000000000        57.428624826426869        57.428624826426869        53.868398470273199        54.183713410974484        1.0598872098492083        1.0598872133893980       -3.5401896969489144E-009
 Changed gamma  0.69690379402898017       0.69690379202122765     
 q will not be changed intraphase
 ispec,jspec,jspecsave,vodiff,vodmin          61          55          55   17.598398470273196        17.598398470273196     
 Changed q default   1.0000000000000000     
 before goinv   30.699999999999999        9.9999997764825821E-003   29.700000022351741        31.699999977648257     
 Changed Go   30.700000000000006        30.699999999999999     
 Changed Gop default   1.3308704266248910     
 Changed eta systematics  0.62409752211876279       0.62409752214690795       -3.2235001280903823        300.00000000000000        1000.0000000000000        0.0000000000000000     
fea    7.09 163.43   5.99 398.96   1.67   0.93  81.47   1.91   6.00
 After Vo block
 Changed Ko adiab   163.42710707829809        163.42710000000000     
 Changed Kop adiabatic   5.9890502428743684        5.9890499999999998     
 Changed theta cal   398.95553856855702        398.95562999999999       -0.0000000000000000        75.109497062992133        75.109502779449457       -5.7164573235013449E-006   0.0000000000000000        1185.0000000000000      fea                                                                             
 gaminv   1.6647399999525025        1662.0000000000000        7.5863427786851974        7.5863427786851974        7.0930000000000000        7.0930000000000000        1.0695534722522484        1.0696008312874572       -4.7359035208804912E-005
 gaminv   1.6667400000474974        1662.0000000000000        7.5870130610275250        7.5870130610275250        7.0930000000000000        7.0930000000000009        1.0696479713841145        1.0696008312874572        4.7140096657294350E-005
 gaminv   1.6647399999525025        1662.0000000000000        7.5863427786851974        7.5863427786851974        7.0930000000000000        7.0930000000000000        1.0695534722522484        1.0696008312874572       -4.7359035208804912E-005
 gaminv   1.6667400000474974        1662.0000000000000        7.5870130610275250        7.5870130610275250        7.0930000000000000        7.0930000000000009        1.0696479713841145        1.0696008312874572        4.7140096657294350E-005
 gaminv   1.6657423168314627        1662.0000000000000        7.5866786541215827        7.5866786541215827        7.0930000000000000        7.0930000000000000        1.0696008253378799        1.0696008312874572       -5.9495772752882203E-009
 gaminv   1.6657424427337146        1662.0000000000000        7.5866786963166364        7.5866786963166364        7.0930000000000000        7.0930000000000000        1.0696008312867102        1.0696008312874572       -7.4695805096780532E-013
 gaminv   1.6657425426787575        1662.0000000000000        7.5866787298123555        7.5866787298123555        7.0930000000000000        7.0930000000000000        1.0696008360090732        1.0696008312874572        4.7216159870799856E-009
 Changed gamma   1.6657424427337146        1.6657400000000000     
 qinv final  0.83231999525025491        0.0000000000000000        1428.0000000000000        133.66994222755122        166.17000780144417        7.4746749949959392        7.8732764697589168        4228.8348341312767        4594.0801645126594       -32.500065573892954       -33.500000000000000       0.99993442610704619     
 qinv final   1.0323200047497452        0.0000000000000000        1428.0000000000000        131.66237897686318        166.17000780144417        7.4695488661742511        7.8732764697589168        4198.3985426131785        4594.0801645126594       -34.507628824580991       -33.500000000000000       -1.0076288245809906     
  0.83231999525025491        1.0323200047497452     
 qinv final  0.83231999525025491        0.0000000000000000        1428.0000000000000        133.66994222755122        166.17000780144400        7.4746749949959392        7.8732764697589159        4228.8348341312767        4594.0801645126567       -32.500065573892783       -33.500000000000000       0.99993442610721672     
 qinv final   1.0323200047497452        0.0000000000000000        1428.0000000000000        131.66237897686318        166.17000780144417        7.4695488661742511        7.8732764697589168        4198.3985426131785        4594.0801645126594       -34.507628824580991       -33.500000000000000       -1.0076288245809906     
 qinv final  0.93193672944368755        0.0000000000000000        1428.0000000000000        132.67382755066629        166.17000780144400        7.4721453644121647        7.8732764697589159        4213.7617168763345        4594.0801645126567       -33.496180250777712       -33.500000000000000        3.8197492222877827E-003
 qinv final  0.93231728195138064        0.0000000000000000        1428.0000000000000        132.67000787082776        166.17000780144400        7.4721356120300664        7.8732764697589159        4213.7038091245013        4594.0801645126567       -33.499999930616241       -33.500000000000000        6.9383759182528593E-008
 qinv final  0.93231733789091553        0.0000000000000000        1428.0000000000000        132.67000730934362        166.17000780144400        7.4721356105964585        7.8732764697589159        4213.7038006121347        4594.0801645126567       -33.500000492100384       -33.500000000000000       -4.9210038355340657E-007
 Changed q  0.93231728195138064       0.93232000000000004     
 before goinv   81.469999999999999        9.9999997764825821E-003   80.470000022351741        82.469999977648257     
 Changed Go   81.469999999999999        81.469999999999999     
 Changed Gop   1.9055236728149156        1.9055200000000001     
 Changed eta   5.9952130115830657        5.9952100000000002       -39.921999999999997        1428.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fea            1
 Theta   9.1431442967859766E-005
 Vo   0.0000000000000000        7.0930000000000000        7.0930000000000000     
 Gamma   2.4427337146359918E-006
 q   2.7180486193989495E-006
 eta   3.0115830655930154E-006
 Ko   7.0782980969852360E-006
 Kop   2.4287436861669676E-007
 Go   0.0000000000000000     
 Gop   3.6728149155340617E-006
fea    7.09 163.43   5.99 398.96   1.67   0.93  81.47   1.91   6.00
 After Vo block
 Changed Ko adiab   163.42709927683748        163.42710707829809     
 Changed Kop adiabatic   5.9890502182974696        5.9890502428743684     
 Changed theta cal   398.95561928242404        398.95553856855702       -0.0000000000000000        75.109507825824835        75.109502779449457        5.0463753780150000E-006   0.0000000000000000        1185.0000000000000      fea                                                                             
 gaminv   1.6647424426862172        1662.0000000000000        7.5863434963695848        7.5863434963695848        7.0930000000000000        7.0929999999999991        1.0695535734343136        1.0696008312874572       -4.7257853143634065E-005
 gaminv   1.6667424427812121        1662.0000000000000        7.5870137786723024        7.5870137786723024        7.0930000000000000        7.0930000000000000        1.0696480725605952        1.0696008312874572        4.7241273138043383E-005
 gaminv   1.6647424426862172        1662.0000000000000        7.5863434963695848        7.5863434963695848        7.0930000000000000        7.0929999999999991        1.0695535734343136        1.0696008312874572       -4.7257853143634065E-005
 gaminv   1.6667424427812121        1662.0000000000000        7.5870137786723024        7.5870137786723024        7.0930000000000000        7.0930000000000000        1.0696480725605952        1.0696008312874572        4.7241273138043383E-005
 gaminv   1.6657426181851398        1662.0000000000000        7.5866786541216493        7.5866786541216493        7.0930000000000000        7.0929999999999991        1.0696008253378895        1.0696008312874572       -5.9495677273702086E-009
 gaminv   1.6657427440872312        1662.0000000000000        7.5866786963166231        7.5866786963166231        7.0930000000000000        7.0930000000000000        1.0696008312867085        1.0696008312874572       -7.4873440780720557E-013
 gaminv   1.6657428440322923        1662.0000000000000        7.5866787298123288        7.5866787298123288        7.0930000000000000        7.0930000000000000        1.0696008360090694        1.0696008312874572        4.7216122123217019E-009
 Changed gamma   1.6657427440872312        1.6657424427337146     
 qinv final  0.83231727720163551        0.0000000000000000        1428.0000000000000        133.66995939362943        166.17000085703023        7.4746749709945615        7.8732764697589168        4228.8351124571172        4594.0800685170125       -32.500041463400805       -33.500000000000000       0.99995853659919476     
 qinv final   1.0323172867011259        0.0000000000000000        1428.0000000000000        131.66239588149449        166.17000085703023        7.4695488415506315        7.8732764697589168        4198.3988190573937        4594.0800685170125       -34.507604975535742       -33.500000000000000       -1.0076049755357417     
  0.83231727720163551        1.0323172867011259     
 qinv final  0.83231727720163551        0.0000000000000000        1428.0000000000000        133.66995939362943        166.17000085703006        7.4746749709945615        7.8732764697589159        4228.8351124571172        4594.0800685170107       -32.500041463400635       -33.500000000000000       0.99995853659936529     
 qinv final   1.0323172867011259        0.0000000000000000        1428.0000000000000        131.66239588149449        166.17000085703023        7.4695488415506315        7.8732764697589168        4198.3988190573937        4594.0800685170125       -34.507604975535742       -33.500000000000000       -1.0076049755357417     
 qinv final  0.93193640038756753        0.0000000000000000        1428.0000000000000        132.67382060836059        166.17000085703006        7.4721452788841214        7.8732764697589159        4213.7616307473309        4594.0800685170107       -33.496180248669475       -33.500000000000000        3.8197513305249231E-003
 qinv final  0.93231695298654982        0.0000000000000000        1428.0000000000000        132.67000092641379        166.17000085703023        7.4721355264942062        7.8732764697589168        4213.7037229622629        4594.0800685170125       -33.499999930616440       -33.500000000000000        6.9383560230562580E-008
 qinv final  0.93231700892606495        0.0000000000000000        1428.0000000000000        132.67000036492971        166.17000085703006        7.4721355250605983        7.8732764697589150        4213.7037144498972        4594.0800685170107       -33.500000492100355       -33.500000000000000       -4.9210035513169714E-007
 Changed q  0.93231695298654982       0.93231728195138064     
 before goinv   81.469999999999999        9.9999997764825821E-003   80.470000022351741        82.469999977648257     
 Changed Go   81.469999999999999        81.469999999999999     
 Changed Gop   1.9055236738165795        1.9055236728149156     
 Changed eta   5.9952121089170864        5.9952130115830657       -39.921999999999997        1428.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fea            2
 Theta   8.0713867021131591E-005
 Vo   0.0000000000000000        7.0930000000000000        7.0930000000000000     
 Gamma   3.0135351658522325E-007
 q   3.2896483082023309E-007
 eta   9.0266597929655745E-007
 Ko   7.8014606117449148E-006
 Kop   2.4576898738359887E-008
 Go   0.0000000000000000     
 Gop   1.0016638629650743E-009
fea    7.09 163.43   5.99 398.96   1.67   0.93  81.47   1.91   6.00
 After Vo block
 Changed Ko adiab   163.42709841979084        163.42709927683748     
 Changed Kop adiabatic   5.9890502167630082        5.9890502182974696     
 Changed theta cal   398.95562940673437        398.95561928242404       -0.0000000000000000        75.109503412439381        75.109502779449457        6.3298992358795658E-007   0.0000000000000000        1185.0000000000000      fea                                                                             
 gaminv   1.6647427440397338        1662.0000000000000        7.5863435848195628        7.5863435848195628        7.0930000000000000        7.0930000000000009        1.0695535859043510        1.0696008312874572       -4.7245383106186978E-005
 gaminv   1.6667427441347287        1662.0000000000000        7.5870138671179479        7.5870138671179479        7.0930000000000000        7.0930000000000009        1.0696480850300221        1.0696008312874572        4.7253742564867807E-005
 gaminv   1.6647427440397338        1662.0000000000000        7.5863435848195628        7.5863435848195628        7.0930000000000000        7.0930000000000000        1.0695535859043512        1.0696008312874572       -4.7245383105964933E-005
 gaminv   1.6667427441347287        1662.0000000000000        7.5870138671179479        7.5870138671179479        7.0930000000000000        7.0930000000000009        1.0696480850300221        1.0696008312874572        4.7253742564867807E-005
 gaminv   1.6657426556265260        1662.0000000000000        7.5866786541216849        7.5866786541216849        7.0930000000000000        7.0930000000000000        1.0696008253378944        1.0696008312874572       -5.9495628423889002E-009
 gaminv   1.6657427815443757        1662.0000000000000        7.5866786963219379        7.5866786963219379        7.0930000000000000        7.0930000000000009        1.0696008312874576        1.0696008312874572        4.4408920985006262E-016
 Changed gamma   1.6657427815443757        1.6657427440872312     
 qinv final  0.83231694823680469        0.0000000000000000        1428.0000000000000        133.66996154024804        166.17000010640612        7.4746749680887588        7.8732764697589168        4228.8351472347367        4594.0800581408093       -32.500038566158082       -33.500000000000000       0.99996143384191782     
 qinv final   1.0323169577362949        0.0000000000000000        1428.0000000000000        131.66239799480124        166.17000010640592        7.4695488385681088        7.8732764697589159        4198.3988535897333        4594.0800581408075       -34.507602111604683       -33.500000000000000       -1.0076021116046832     
  0.83231694823680469        1.0323169577362949     
 qinv final  0.83231694823680469        0.0000000000000000        1428.0000000000000        133.66996154024804        166.17000010640612        7.4746749680887588        7.8732764697589168        4228.8351472347367        4594.0800581408093       -32.500038566158082       -33.500000000000000       0.99996143384191782     
 qinv final   1.0323169577362949        0.0000000000000000        1428.0000000000000        131.66239799480124        166.17000010640592        7.4695488385681088        7.8732764697589159        4198.3988535897333        4594.0800581408075       -34.507602111604683       -33.500000000000000       -1.0076021116046832     
 qinv final  0.93193635840248257        0.0000000000000000        1428.0000000000000        132.67381985799591        166.17000010640612        7.4721452685864103        7.8732764697589168        4213.7616217350133        4594.0800581408093       -33.496180248410212       -33.500000000000000        3.8197515897877565E-003
 qinv final  0.93231691101266867        0.0000000000000000        1428.0000000000000        132.67000017578991        166.17000010640592        7.4721355161955465        7.8732764697589159        4213.7037139458826        4594.0800581408075       -33.499999930616013       -33.500000000000000        6.9383986556204036E-008
 qinv final  0.93231696695218136        0.0000000000000000        1428.0000000000000        132.66999961430562        166.17000010640592        7.4721355147619386        7.8732764697589150        4213.7037054335133        4594.0800581408075       -33.500000492100298       -33.500000000000000       -4.9210029828827828E-007
 Changed q  0.93231691101266867       0.93231695298654982     
 before goinv   81.469999999999999        9.9999997764825821E-003   80.470000022351741        82.469999977648257     
 Changed Go   81.469999999999999        81.469999999999999     
 Changed Gop   1.9055236739297139        1.9055236738165795     
 Changed eta   5.9952119976115066        5.9952121089170864       -39.921999999999997        1428.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fea            3
 Theta   1.0124310335868358E-005
 Vo   0.0000000000000000        7.0930000000000000        7.0930000000000000     
 Gamma   3.7457144497210493E-008
 q   4.1973881148571479E-008
 eta   1.1130557986405165E-007
 Ko   8.5704664343211334E-007
 Kop   1.5344614467949214E-009
 Go   0.0000000000000000     
 Gop   1.1313439074456255E-010
fea    7.09 163.43   5.99 398.96   1.67   0.93  81.47   1.91   6.00
 After Vo block
 Changed Ko adiab   163.42709831336828        163.42709841979084     
 Changed Kop adiabatic   5.9890502165393329        5.9890502167630082     
 Changed theta cal   398.95563066318499        398.95562940673437       -0.0000000000000000        75.109502858004987        75.109502779449457        7.8555530080848257E-008   0.0000000000000000        1185.0000000000000      fea                                                                             
 gaminv   1.6647427814968783        1662.0000000000000        7.5863435957612992        7.5863435957612992        7.0930000000000000        7.0930000000000009        1.0695535874469615        1.0696008312874572       -4.7243840495703182E-005
 gaminv   1.6667427815918732        1662.0000000000000        7.5870138780589427        7.5870138780589427        7.0930000000000000        7.0930000000000000        1.0696480865725282        1.0696008312874572        4.7255285070990638E-005
 gaminv   1.6647427814968783        1662.0000000000000        7.5863435957612992        7.5863435957612992        7.0930000000000000        7.0930000000000000        1.0695535874469617        1.0696008312874572       -4.7243840495481138E-005
 gaminv   1.6667427815918732        1662.0000000000000        7.5870138780589427        7.5870138780589427        7.0930000000000000        7.0930000000000000        1.0696480865725282        1.0696008312874572        4.7255285070990638E-005
 gaminv   1.6657426604366301        1662.0000000000000        7.5866786541216884        7.5866786541216884        7.0930000000000000        7.0930000000000000        1.0696008253378948        1.0696008312874572       -5.9495623982996904E-009
 gaminv   1.6657427863544716        1662.0000000000000        7.5866786963219379        7.5866786963219379        7.0930000000000000        7.0930000000000000        1.0696008312874579        1.0696008312874572        6.6613381477509392E-016
 Changed gamma   1.6657427863544716        1.6657427815443757     
 qinv final  0.83231690626292354        0.0000000000000000        1428.0000000000000        133.66996181705883        166.17000001369991        7.4746749677180020        7.8732764697589168        4228.8351517182618        4594.0800568592913       -32.500038196641071       -33.500000000000000       0.99996180335892859     
 qinv final   1.0323169157624137        0.0000000000000000        1428.0000000000000        131.66239826731177        166.17000001369979        7.4695488381875368        7.8732764697589159        4198.3988580415407        4594.0800568592895       -34.507601746388019       -33.500000000000000       -1.0076017463880191     
  0.83231690626292354        1.0323169157624137     
 qinv final  0.83231690626292354        0.0000000000000000        1428.0000000000000        133.66996181705883        166.17000001369991        7.4746749677180020        7.8732764697589168        4228.8351517182618        4594.0800568592913       -32.500038196641071       -33.500000000000000       0.99996180335892859     
 qinv final   1.0323169157624137        0.0000000000000000        1428.0000000000000        131.66239826731177        166.17000001369979        7.4695488381875368        7.8732764697589159        4198.3988580415407        4594.0800568592895       -34.507601746388019       -33.500000000000000       -1.0076017463880191     
 qinv final  0.93193635302769562        0.0000000000000000        1428.0000000000000        132.67381976532292        166.17000001369991        7.4721452672729347        7.8732764697589168        4213.7616206337061        4594.0800568592913       -33.496180248376987       -33.500000000000000        3.8197516230127349E-003
 qinv final  0.93231690563931668        0.0000000000000000        1428.0000000000000        132.67000008308392        166.17000001369979        7.4721355148819519        7.8732764697589159        4213.7037128440570        4594.0800568592895       -33.499999930615871       -33.500000000000000        6.9384128664751188E-008
 qinv final  0.93231696157882904        0.0000000000000000        1428.0000000000000        132.66999952159969        166.17000001369979        7.4721355134483440        7.8732764697589150        4213.7037043316886        4594.0800568592904       -33.500000492100099       -33.500000000000000       -4.9210009933631227E-007
 Changed q  0.93231690563931668       0.93231691101266867     
 before goinv   81.469999999999999        9.9999997764825821E-003   80.470000022351741        82.469999977648257     
 Changed Go   81.469999999999999        81.469999999999999     
 Changed Gop   1.9055236739437391        1.9055236739297139     
 Changed eta   5.9952119833075121        5.9952119976115066       -39.921999999999997        1428.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fea            4
 Theta   1.2564506164380873E-006
 Vo   0.0000000000000000        7.0930000000000000        7.0930000000000000     
 Gamma   4.8100958771613023E-009
 q   5.3733519855825307E-009
 eta   1.4303994433362277E-008
 Ko   1.0642256143000850E-007
 Kop   2.2367530050360074E-010
 Go   0.0000000000000000     
 Gop   1.4025225425484678E-011
fea    7.09 163.43   5.99 398.96   1.67   0.93  81.47   1.91   6.00
 After Vo block
 Changed Ko adiab   163.42709829965190        163.42709831336828     
 Changed Kop adiabatic   5.9890502165106350        5.9890502165393329     
 Changed theta cal   398.95563082449337        398.95563066318499       -0.0000000000000000        75.109502789534744        75.109502779449457        1.0085287271976995E-008   0.0000000000000000        1185.0000000000000      fea                                                                             
 gaminv   1.6647427863069741        1662.0000000000000        7.5863435971673843        7.5863435971673843        7.0930000000000000        7.0930000000000009        1.0695535876451971        1.0696008312874572       -4.7243642260053065E-005
 gaminv   1.6667427864019690        1662.0000000000000        7.5870138794649344        7.5870138794649344        7.0930000000000000        7.0930000000000009        1.0696480867707505        1.0696008312874572        4.7255483293318079E-005
 gaminv   1.6647427863069741        1662.0000000000000        7.5863435971673843        7.5863435971673843        7.0930000000000000        7.0930000000000000        1.0695535876451974        1.0696008312874572       -4.7243642259831020E-005
 gaminv   1.6667427864019690        1662.0000000000000        7.5870138794649344        7.5870138794649344        7.0930000000000000        7.0930000000000009        1.0696480867707505        1.0696008312874572        4.7255483293318079E-005
 gaminv   1.6657426610513646        1662.0000000000000        7.5866786541216893        7.5866786541216893        7.0930000000000000        7.0930000000000000        1.0696008253378950        1.0696008312874572       -5.9495621762550854E-009
 gaminv   1.6657427869692014        1662.0000000000000        7.5866786963219361        7.5866786963219361        7.0930000000000000        7.0930000000000000        1.0696008312874574        1.0696008312874572        2.2204460492503131E-016
 Changed gamma   1.6657427869692014        1.6657427863544716     
 qinv final  0.83231690088957155        0.0000000000000000        1428.0000000000000        133.66996185241072        166.17000000173567        7.4746749676705484        7.8732764697589168        4228.8351522908897        4594.0800566939042       -32.500038149324951       -33.500000000000000       0.99996185067504939     
 qinv final   1.0323169103890617        0.0000000000000000        1428.0000000000000        131.66239830211489        166.17000000173550        7.4695488381388264        7.8732764697589150        4198.3988586101241        4594.0800566939024       -34.507601699620608       -33.500000000000000       -1.0076016996206079     
  0.83231690088957155        1.0323169103890617     
 qinv final  0.83231690088957155        0.0000000000000000        1428.0000000000000        133.66996185241072        166.17000000173567        7.4746749676705484        7.8732764697589168        4228.8351522908897        4594.0800566939042       -32.500038149324951       -33.500000000000000       0.99996185067504939     
 qinv final   1.0323169103890617        0.0000000000000000        1428.0000000000000        131.66239830211489        166.17000000173550        7.4695488381388264        7.8732764697589150        4198.3988586101241        4594.0800566939024       -34.507601699620608       -33.500000000000000       -1.0076016996206079     
 qinv final  0.93193635234090144        0.0000000000000000        1428.0000000000000        132.67381975336318        166.17000000173567        7.4721452671047652        7.8732764697589168        4213.7616204912010        4594.0800566939042       -33.496180248372497       -33.500000000000000        3.8197516275033649E-003
 qinv final  0.93231690495273012        0.0000000000000000        1428.0000000000000        132.67000007111932        166.17000000173550        7.4721355147137647        7.8732764697589150        4213.7037127014773        4594.0800566939024       -33.499999930616184       -33.500000000000000        6.9383816025947453E-008
 qinv final  0.93231696089224247        0.0000000000000000        1428.0000000000000        132.66999950963515        166.17000000173550        7.4721355132801568        7.8732764697589150        4213.7037041891099        4594.0800566939024       -33.500000492100355       -33.500000000000000       -4.9210035513169714E-007
 Changed q  0.93231690495273012       0.93231690563931668     
 before goinv   81.469999999999999        9.9999997764825821E-003   80.470000022351741        82.469999977648257     
 Changed Go   81.469999999999999        81.469999999999999     
 Changed Gop   1.9055236739455617        1.9055236739437391     
 Changed eta   5.9952119814792111        5.9952119833075121       -39.921999999999997        1428.0000000000000        0.0000000000000000     
feg    6.99 165.00   5.97 285.88   1.85   1.02  91.00   2.34   6.50
 volinv          63   0.0000000000000000        1189.0000000000000        6.9783600002235175        7.2925089697076801        7.3024300000000002       -9.9210302923200544E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9983599997764827        7.3123422739892794        7.3024300000000002        9.9122739892791856E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9783600002235175        7.2925089697076810        7.3024300000000002       -9.9210302923191662E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9983599997764827        7.3123422739892794        7.3024300000000002        9.9122739892791856E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9883644149490776        7.3024298479184591        7.3024300000000002       -1.5208154113821593E-007
 volinv          63   0.0000000000000000        1189.0000000000000        6.9883648342514277        7.3024302637260412        7.3024300000000002        2.6372604100544095E-007
 Changed Vo   6.9883644149490776        6.9883600000000001     
 After Vo block
   155.00000022351742        174.99999977648258     
 Changed Ko isoth   165.00000000000000        165.00000000000000     
 Changed Kop isoth one   5.9699999999999998        5.9699999999999998     
 gaminv   1.8482299999525025        1661.0000000000000        7.5460881367994279        7.5460881367994279        6.9883644149490776        7.3022470104397268        1.0333926154526258        1.0334157813052620       -2.3165852636175543E-005
 gaminv   1.8502300000474974        1661.0000000000000        7.5468032257213835        7.5468032257213835        6.9883644149490776        7.3026127118497666        1.0334387873911723        1.0334157813052620        2.3006085910326490E-005
 gaminv   1.8482299999525025        1661.0000000000000        7.5460881367994279        7.5460881367994279        6.9883644149490776        7.3022470104397277        1.0333926154526258        1.0334157813052620       -2.3165852636175543E-005
 gaminv   1.8502300000474974        1661.0000000000000        7.5468032257213835        7.5468032257213835        6.9883644149490776        7.3026127118497666        1.0334387873911723        1.0334157813052620        2.3006085910326490E-005
 gaminv   1.8492334602561309        1661.0000000000000        7.5464468831057028        7.5464468831057028        6.9883644149490776        7.3024304806288720        1.0334157789141756        1.0334157813052620       -2.3910864399567799E-009
 gaminv   1.8492335712106345        1661.0000000000000        7.5464469227769007        7.5464469227769007        6.9883644149490776        7.3024305009169925        1.0334157814756697        1.0334157813052620        1.7040768796050543E-010
 Changed gamma   1.8492335712106345        1.8492299999999999     
 qinv final  0.92187999525025477        0.0000000000000000        1428.0000000000000        134.31187162313941        168.60013449294362        7.5336560789959242        7.9911616916455435        4222.3507319561313        4593.2914125371308       -34.288262869804214       -35.520000000000010        1.2317371301957962     
 qinv final   1.1218800047497450        0.0000000000000000        1428.0000000000000        131.83452162012196        168.60013449294379        7.5263006495563767        7.9911616916455444        4185.2730062377013        4593.2914125371326       -36.765612872821833       -35.520000000000010       -1.2456128728218232     
  0.92187999525025477        1.1218800047497450     
 qinv final  0.92187999525025477        0.0000000000000000        1428.0000000000000        134.31187162313941        168.60013449294379        7.5336560789959242        7.9911616916455452        4222.3507319561313        4593.2914125371326       -34.288262869804385       -35.520000000000010        1.2317371301956257     
 qinv final   1.1218800047497450        0.0000000000000000        1428.0000000000000        131.83452162012196        168.60013449294379        7.5263006495563767        7.9911616916455444        4185.2730062377013        4593.2914125371326       -36.765612872821833       -35.520000000000010       -1.2456128728218232     
 qinv final   1.0213198957245297        0.0000000000000000        1428.0000000000000        133.08710978417153        168.60013449294379        7.5300443574345515        7.9911616916455452        4204.0631362015201        4593.2914125371326       -35.513024708772264       -35.520000000000010        6.9752912277465384E-003
 qinv final   1.0218830743501712        0.0000000000000000        1428.0000000000000        133.08013470592687        168.60013449294379        7.5300236509673759        7.9911616916455452        4203.9587476797615        4593.2914125371326       -35.519999787016928       -35.520000000000010        2.1298308183759218E-007
 qinv final   1.0218831356636535        0.0000000000000000        1428.0000000000000        133.08013394652343        168.60013449294379        7.5300236487128993        7.9911616916455444        4203.9587363144356        4593.2914125371326       -35.520000546420363       -35.520000000000010       -5.4642035252072674E-007
 Changed q   1.0218830743501712        1.0218799999999999     
 before goinv   91.000000000000000        9.9999997764825821E-003   90.000000022351742        91.999999977648258     
 Changed Go   91.000000000000000        91.000000000000000     
 Changed Gop   2.3386870131123945        2.3386900000000002     
 Changed eta   6.5006098280241984        6.5006100000000000       -49.451999999999998        1428.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: feg            1
 Theta   0.0000000000000000     
 Vo   4.4149490774358924E-006   6.9883644149490776        6.9883600000000001     
 Gamma   3.5712106345453520E-006
 q   3.0743501713281773E-006
 eta   1.7197580159944437E-007
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   2.9868876056937665E-006
feg    6.99 165.00   5.97 285.88   1.85   1.02  91.00   2.34   6.50
 volinv          63   0.0000000000000000        1189.0000000000000        6.9783644151725950        7.2925140552803285        7.3024300000000002       -9.9159447196717210E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9983644147255601        7.3123473588600731        7.3024300000000002        9.9173588600729445E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9783644151725950        7.2925140552803285        7.3024300000000002       -9.9159447196717210E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9983644147255601        7.3123473588600731        7.3024300000000002        9.9173588600729445E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9883637019360565        7.3024298479176446        7.3024300000000002       -1.5208235559782679E-007
 volinv          63   0.0000000000000000        1189.0000000000000        6.9883641212383640        7.3024302637251628        7.3024300000000002        2.6372516259698386E-007
 Changed Vo   6.9883637019360565        6.9883644149490776     
 After Vo block
   155.00000022351742        174.99999977648258     
 Changed Ko isoth   165.00000000000000        165.00000000000000     
 Changed Kop isoth one   5.9699999999999998        5.9699999999999998     
 gaminv   1.8482335711631370        1661.0000000000000        7.5460889357164067        7.5460889357164067        6.9883637019360565        7.3022470102552521        1.0333927248857377        1.0334157813052620       -2.3056419524269955E-005
 gaminv   1.8502335712581319        1661.0000000000000        7.5468040260230653        7.5468040260230653        6.9883637019360565        7.3026127120326407        1.0334388969564368        1.0334157813052620        2.3115651174743235E-005
 gaminv   1.8482335711631370        1661.0000000000000        7.5460889357164067        7.5460889357164067        6.9883637019360565        7.3022470102552521        1.0333927248857377        1.0334157813052620       -2.3056419524269955E-005
 gaminv   1.8502335712581319        1661.0000000000000        7.5468040260230653        7.5468040260230653        6.9883637019360565        7.3026127120326407        1.0334388969564368        1.0334157813052620        2.3115651174743235E-005
 gaminv   1.8492322883646977        1661.0000000000000        7.5464459868438656        7.5464459868438656        6.9883637019360565        7.3024296133481537        1.0334157789141403        1.0334157813052620       -2.3911217450489630E-009
 gaminv   1.8492323993191311        1661.0000000000000        7.5464460265150786        7.5464460265150786        6.9883637019360565        7.3024296336362662        1.0334157814756380        1.0334157813052620        1.7037593558200115E-010
 Changed gamma   1.8492323993191311        1.8492335712106345     
 qinv final  0.92188306960042610        0.0000000000000000        1428.0000000000000        134.31183504042204        168.60013046329613        7.5336569851086921        7.9911625069726480        4222.3499030100265        4593.2911233223331       -34.288295422874086       -35.520000000000010        1.2317045771259245     
 qinv final   1.1218830790999164        0.0000000000000000        1428.0000000000000        131.83448678025835        168.60013046329613        7.5263015611944386        7.9911625069726480        4185.2721997426561        4593.2911233223331       -36.765643683037780       -35.520000000000010       -1.2456436830377697     
  0.92188306960042610        1.1218830790999164     
 qinv final  0.92188306960042610        0.0000000000000000        1428.0000000000000        134.31183504042204        168.60013046329627        7.5336569851086921        7.9911625069726488        4222.3499030100265        4593.2911233223349       -34.288295422874228       -35.520000000000010        1.2317045771257824     
 qinv final   1.1218830790999164        0.0000000000000000        1428.0000000000000        131.83448678025835        168.60013046329613        7.5263015611944386        7.9911625069726480        4185.2721997426561        4593.2911233223331       -36.765643683037780       -35.520000000000010       -1.2456436830377697     
 qinv final   1.0213204119745092        0.0000000000000000        1428.0000000000000        133.08710573889817        168.60013046329627        7.5300453602772102        7.9911625069726488        4204.0627923627198        4593.2911233223349       -35.513024724398093       -35.520000000000010        6.9752756019170192E-003
 qinv final   1.0218835898969210        0.0000000000000000        1428.0000000000000        133.08013067627877        168.60013046329627        7.5300246538645155        7.9911625069726488        4203.9584040769723        4593.2911233223349       -35.519999787017497       -35.520000000000010        2.1298251340340357E-007
 qinv final   1.0218836512104341        0.0000000000000000        1428.0000000000000        133.08012991687539        168.60013046329630        7.5300246516100389        7.9911625069726497        4203.9583927116464        4593.2911233223349       -35.520000546420903       -35.520000000000010       -5.4642089253320592E-007
 Changed q   1.0218835898969210        1.0218830743501712     
 before goinv   91.000000000000000        9.9999997764825821E-003   90.000000022351742        91.999999977648258     
 Changed Go   91.000000000000000        91.000000000000000     
 Changed Gop   2.3386870131123967        2.3386870131123945     
 Changed eta   6.5006130882386550        6.5006098280241984       -49.451999999999998        1428.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: feg            2
 Theta   0.0000000000000000     
 Vo   7.1301302106974163E-007   6.9883637019360565        6.9883644149490776     
 Gamma   1.1718915033931410E-006
 q   5.1554674973530723E-007
 eta   3.2602144566240554E-006
 Ko   0.0000000000000000     
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   2.2204460492503131E-015
feg    6.99 165.00   5.97 285.88   1.85   1.02  91.00   2.34   6.50
 volinv          63   0.0000000000000000        1189.0000000000000        6.9783637021595739        7.2925131429254284        7.3024300000000002       -9.9168570745717943E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9983637017125391        7.3123464466461332        7.3024300000000002        9.9164466461330036E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9783637021595739        7.2925131429254284        7.3024300000000002       -9.9168570745717943E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9983637017125391        7.3123464466461332        7.3024300000000002        9.9164466461330036E-003
 volinv          63   0.0000000000000000        1189.0000000000000        6.9883639088750691        7.3024298479177805        7.3024300000000002       -1.5208221970652858E-007
 volinv          63   0.0000000000000000        1189.0000000000000        6.9883643281773891        7.3024302637253165        7.3024300000000002        2.6372531625185047E-007
 Changed Vo   6.9883639088750691        6.9883637019360565     
 After Vo block
   155.00000022351742        174.99999977648258     
 Changed Ko isoth   165.00000000000000        165.00000000000000     
 Changed Kop isoth one   5.9699999999999998        5.9699999999999998     
 gaminv   1.8482323992716336        1661.0000000000000        7.5460887534758943        7.5460887534758943        6.9883639088750691        7.3022470102746491        1.0333926999262208        1.0334157813052620       -2.3081379041167693E-005
 gaminv   1.8502323993666285        1661.0000000000000        7.5468038437392080        7.5468038437392080        6.9883639088750691        7.3026127120135564        1.0334388719976799        1.0334157813052620        2.3090692417904179E-005
 gaminv   1.8482323992716336        1661.0000000000000        7.5460887534758943        7.5460887534758943        6.9883639088750691        7.3022470102746491        1.0333926999262208        1.0334157813052620       -2.3081379041167693E-005
 gaminv   1.8502323993666285        1661.0000000000000        7.5468038437392080        7.5468038437392080        6.9883639088750691        7.3026127120135564        1.0334388719976799        1.0334157813052620        2.3090692417904179E-005
 gaminv   1.8492321976089439        1661.0000000000000        7.5464461911363063        7.5464461911363063        6.9883639088750691        7.3024298110348989        1.0334157789141181        1.0334157813052620       -2.3911439495094555E-009
 gaminv   1.8492323085633717        1661.0000000000000        7.5464462308075229        7.5464462308075229        6.9883639088750691        7.3024298313230114        1.0334157814756164        1.0334157813052620        1.7035439725532342E-010
 Changed gamma   1.8492323085633717        1.8492323993191311     
 qinv final  0.92188358514717583        0.0000000000000000        1428.0000000000000        134.31183003629471        168.60013001617185        7.5336567829707333        7.9911622703388243        4222.3498809984703        4593.2911852398056       -34.288299979877138       -35.520000000000010        1.2317000201228723     
 qinv final   1.1218835946466661        0.0000000000000000        1428.0000000000000        131.83448198704869        168.60013001617185        7.5263013600713453        7.9911622703388252        4185.2721795799316        4593.2911852398047       -36.765648029123156       -35.520000000000010       -1.2456480291231458     
  0.92188358514717583        1.1218835946466661     
 qinv final  0.92188358514717583        0.0000000000000000        1428.0000000000000        134.31183003629471        168.60013001617185        7.5336567829707333        7.9911622703388252        4222.3498809984703        4593.2911852398047       -34.288299979877138       -35.520000000000010        1.2317000201228723     
 qinv final   1.1218835946466661        0.0000000000000000        1428.0000000000000        131.83448198704869        168.60013001617185        7.5263013600713453        7.9911622703388252        4185.2721795799316        4593.2911852398047       -36.765648029123156       -35.520000000000010       -1.2456480291231458     
 qinv final   1.0213205680935449        0.0000000000000000        1428.0000000000000        133.08710529001794        168.60013001617185        7.5300451718487036        7.9911622703388252        4204.0628378732245        4593.2911852398047       -35.513024726153901       -35.520000000000010        6.9752738461090757E-003
 qinv final   1.0218837459449330        0.0000000000000000        1428.0000000000000        133.08013022915438        168.60013001617185        7.5300244654433142        7.9911622703388243        4203.9584496118132        4593.2911852398056       -35.519999787017468       -35.520000000000010        2.1298254182511300E-007
 qinv final   1.0218838072584555        0.0000000000000000        1428.0000000000000        133.08012946975106        168.60013001617185        7.5300244631888384        7.9911622703388252        4203.9584382464891        4593.2911852398047       -35.520000546420789       -35.520000000000010       -5.4642077884636819E-007
 Changed q   1.0218837459449330        1.0218835898969210     
 before goinv   91.000000000000000        9.9999997764825821E-003   90.000000022351742        91.999999977648258     
 Changed Go   91.000000000000000        91.000000000000000     
 Changed Gop   2.3386870131123971        2.3386870131123967     
 Changed eta   6.5006137782180229        6.5006130882386550       -49.451999999999998        1428.0000000000000        0.0000000000000000     
fee    6.77 165.00   4.97 345.75   2.66   1.64  91.00   2.25   2.49
 After Vo block
   155.00000022351742        174.99999977648258     
 Changed Ko isoth   165.00000000000009        165.00000000000000     
 Changed Kop isoth one   4.9699999999999998        4.9699999999999998     
 hugoniot inversion for gamma
 huggam          64   2.6606199999525026        200.00000000000000        4644.7138972394087        11.940163052351485        11.940000000000000       -1.6305235148550423E-004
 huggam          64   2.6626200000474975        200.00000000000000        4644.9972141082890        11.939837192870932        11.940000000000000        1.6280712906713291E-004
 huggam          64   2.6606199999525026        200.00000000000000        4644.7138972338253        11.940163052352533        11.940000000000000       -1.6305235253355477E-004
 huggam          64   2.6626200000474975        200.00000000000000        4644.9972141082872        11.939837192870932        11.940000000000000        1.6280712906713291E-004
 huggam          64   2.6616207525436328        200.00000000000000        4644.8556923706128        11.939999969368756        11.940000000000000        3.0631243319589885E-008
 huggam          64   2.6616205645407898        200.00000000000000        4644.8556657392282        11.939999999999852        11.940000000000000        1.4743761767022079E-013
 huggam          64   2.6616204048430614        200.00000000000000        4644.8556431166999        11.940000026019355        11.940000000000000       -2.6019355559014912E-008
 Changed gamma Hugoniot   2.6616205645407898        2.6616200000000001     
 qinv final   1.5431899952502548        0.0000000000000000        1428.0000000000000        140.01454351254111        172.44722579361076        7.4899655425082816        8.2548890629850238        4323.6115121930306        4570.5923193091958       -32.432682281069646       -35.520000000000010        3.0873177189303647     
 qinv final   1.7431900047497451        0.0000000000000000        1428.0000000000000        133.62496464150354        172.44722579361081        7.4539729056373556        8.2548890629850256        4233.9906706772153        4570.5923193091967       -38.822261152107274       -35.520000000000010       -3.3022611521072633     
   1.5431899952502548        1.7431900047497451     
 qinv final   1.5431899952502548        0.0000000000000000        1428.0000000000000        140.01454351254111        172.44722579361081        7.4899655425082816        8.2548890629850256        4323.6115121930306        4570.5923193091967       -32.432682281069702       -35.520000000000010        3.0873177189303078     
 qinv final   1.7431900047497451        0.0000000000000000        1428.0000000000000        133.62496464150354        172.44722579361081        7.4539729056373556        8.2548890629850256        4233.9906706772153        4570.5923193091967       -38.822261152107274       -35.520000000000010       -3.3022611521072633     
 qinv final   1.6398260311418877        0.0000000000000000        1428.0000000000000        137.03428659065065        172.44722579361081        7.4735100259696114        8.2548890629850256        4282.0556866753168        4570.5923193091967       -35.412939202960160       -35.520000000000010       0.10706079703984983     
 qinv final   1.6431885077707222        0.0000000000000000        1428.0000000000000        136.92724205627175        172.44722579361081        7.4729083279966213        8.2548890629850256        4280.5552117339039        4570.5923193091967       -35.519983737339061       -35.520000000000010        1.6262660949450947E-005
 qinv final   1.6431890180357267        0.0000000000000000        1428.0000000000000        136.92722579369212        172.44722579361070        7.4729082365276804        8.2548890629850238        4280.5549837344806        4570.5923193091949       -35.519999999918582       -35.520000000000010        8.1428197518107481E-011
 qinv final   1.6431891166275643        0.0000000000000000        1428.0000000000000        136.92722265148558        172.44722579361081        7.4729082188543252        8.2548890629850256        4280.5549396811193        4570.5923193091967       -35.520003142125233       -35.520000000000010       -3.1421252231211838E-006
 Changed q   1.6431890180357267        1.6431899999999999     
 before goinv   91.000000000000000        9.9999997764825821E-003   90.000000022351742        91.999999977648258     
 Changed Go   91.000000000000028        91.000000000000000     
 Changed Gop   2.2480422315144923        2.2480400000000000     
 Changed eta   2.4914966974461268        2.4914999999999998       -49.451999999999998        1428.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fee            1
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        6.7651000000000003        6.7651000000000003     
 Gamma   5.6454078967149712E-007
 q   9.8196427322783109E-007
 eta   3.3025538730413473E-006
 Ko   8.5265128291212022E-014
 Kop   0.0000000000000000     
 Go   2.8421709430404007E-014
 Gop   2.2315144923013008E-006
fee    6.77 165.00   4.97 345.75   2.66   1.64  91.00   2.25   2.49
 After Vo block
   155.00000022351750        174.99999977648267     
 Changed Ko isoth   165.00000000000006        165.00000000000009     
 Changed Kop isoth one   4.9699999999999998        4.9699999999999998     
 hugoniot inversion for gamma
 huggam          64   2.6606205644932923        200.00000000000000        4644.7140150175992        11.940162907356186        11.940000000000000       -1.6290735618618157E-004
 huggam          64   2.6626205645882872        200.00000000000000        4644.9973317905287        11.939837047978575        11.940000000000000        1.6295202142480036E-004
 huggam          64   2.6606205644932923        200.00000000000000        4644.7140150168962        11.940162907356319        11.940000000000000       -1.6290735631940834E-004
 huggam          64   2.6626205645882872        200.00000000000000        4644.9973317905369        11.939837047978575        11.940000000000000        1.6295202142480036E-004
 huggam          64   2.6616204274721320        200.00000000000000        4644.8556840822248        11.939999969368742        11.940000000000000        3.0631257530444600E-008
 huggam          64   2.6616202395045447        200.00000000000000        4644.8556574558070        11.939999999994097        11.940000000000000        5.9028337773270323E-012
 huggam          64   2.6616200798068359        200.00000000000000        4644.8556348332959        11.940000026013596        11.940000000000000       -2.6013596610141576E-008
 Changed gamma Hugoniot   2.6616202395045447        2.6616205645407898     
 qinv final   1.5431890132859816        0.0000000000000000        1428.0000000000000        140.01456359884727        172.44722403377338        7.4899657955100150        8.2548890629850256        4323.6117492997737        4570.5922959875697       -32.432660434926106       -35.520000000000010        3.0873395650739042     
 qinv final   1.7431890227854718        0.0000000000000000        1428.0000000000000        133.62499058402042        172.44722403377324        7.4539732120194708        8.2548890629850238        4233.9909946643593        4570.5922959875679       -38.822233449752815       -35.520000000000010       -3.3022334497528050     
   1.5431890132859816        1.7431890227854718     
 qinv final   1.5431890132859816        0.0000000000000000        1428.0000000000000        140.01456359884727        172.44722403377321        7.4899657955100150        8.2548890629850238        4323.6117492997737        4570.5922959875679       -32.432660434925936       -35.520000000000010        3.0873395650740747     
 qinv final   1.7431890227854718        0.0000000000000000        1428.0000000000000        133.62499058402042        172.44722403377324        7.4539732120194708        8.2548890629850238        4233.9909946643593        4570.5922959875679       -38.822233449752815       -35.520000000000010       -3.3022334497528050     
 qinv final   1.6398258215531607        0.0000000000000000        1428.0000000000000        137.03428465124884        172.44722403377321        7.4735101639182684        8.2548890629850238        4282.0556168542053        4570.5922959875679       -35.412939382524371       -35.520000000000010       0.10706061747563922     
 qinv final   1.6431882938581779        0.0000000000000000        1428.0000000000000        136.92724029640644        172.44722403377338        7.4729084671207726        8.2548890629850256        4280.5551443800232        4570.5922959875697       -35.519983737366942       -35.520000000000010        1.6262633067753995E-005
 qinv final   1.6431888041225082        0.0000000000000000        1428.0000000000000        136.92722403385480        172.44722403377338        7.4729083756520156        8.2548890629850256        4280.5549163809847        4570.5922959875697       -35.519999999918582       -35.520000000000010        8.1428197518107481E-011
 qinv final   1.6431889027143329        0.0000000000000000        1428.0000000000000        136.92722089165022        172.44722403377338        7.4729083579786746        8.2548890629850256        4280.5548723276497        4570.5922959875697       -35.520003142123159       -35.520000000000010       -3.1421231483363954E-006
 Changed q   1.6431888041225082        1.6431890180357267     
 before goinv   91.000000000000028        9.9999997764825821E-003   90.000000022351770        91.999999977648287     
 Changed Go   91.000000000000028        91.000000000000028     
 Changed Gop   2.2480422315144923        2.2480422315144923     
 Changed eta   2.4914983312964076        2.4914966974461268       -49.451999999999998        1428.0000000000000        0.0000000000000000     
 Looping back for species.  Differences: fee            2
 Theta   0.0000000000000000     
 Vo   0.0000000000000000        6.7651000000000003        6.7651000000000003     
 Gamma   3.2503624503021911E-007
 q   2.1391321847197275E-007
 eta   1.6338502808466160E-006
 Ko   2.8421709430404007E-014
 Kop   0.0000000000000000     
 Go   0.0000000000000000     
 Gop   0.0000000000000000     
fee    6.77 165.00   4.97 345.75   2.66   1.64  91.00   2.25   2.49
 After Vo block
   155.00000022351747        174.99999977648264     
 Changed Ko isoth   165.00000000000006        165.00000000000006     
 Changed Kop isoth one   4.9699999999999998        4.9699999999999998     
 hugoniot inversion for gamma
 huggam          64   2.6606202394570473        200.00000000000000        4644.7139771833836        11.940162948792628        11.940000000000000       -1.6294879262801487E-004
 huggam          64   2.6626202395520422        200.00000000000000        4644.9972939882791        11.939837089382744        11.940000000000000        1.6291061725581812E-004
 huggam          64   2.6606202394570473        200.00000000000000        4644.7139771826696        11.940162948792763        11.940000000000000       -1.6294879276301799E-004
 huggam          64   2.6626202395520422        200.00000000000000        4644.9972939882737        11.939837089382747        11.940000000000000        1.6291061725226541E-004
 huggam          64   2.6616203566578673        200.00000000000000        4644.8556822766541        11.939999969368740        11.940000000000000        3.0631259306801439E-008
 huggam          64   2.6616201686549297        200.00000000000000        4644.8556556452440        11.939999999999854        11.940000000000000        1.4566126083082054E-013
 huggam          64   2.6616200089572253        200.00000000000000        4644.8556330227302        11.940000026019352        11.940000000000000       -2.6019352006301233E-008
 Changed gamma Hugoniot   2.6616201686549297        2.6616202395045447     
 qinv final   1.5431887993727631        0.0000000000000000        1428.0000000000000        140.01456797325605        172.44722365017373        7.4899658506367928        8.2548890629850256        4323.6118009289785        4570.5922909040510       -32.432655676917676       -35.520000000000010        3.0873443230823341     
 qinv final   1.7431888088722534        0.0000000000000000        1428.0000000000000        133.62499623436995        172.44722365017361        7.4539732787768784        8.2548890629850238        4233.9910652220742        4570.5922909040492       -38.822227415803667       -35.520000000000010       -3.3022274158036566     
   1.5431887993727631        1.7431888088722534     
 qinv final   1.5431887993727631        0.0000000000000000        1428.0000000000000        140.01456797325605        172.44722365017373        7.4899658506367937        8.2548890629850256        4323.6118009289776        4570.5922909040510       -32.432655676917676       -35.520000000000010        3.0873443230823341     
 qinv final   1.7431888088722534        0.0000000000000000        1428.0000000000000        133.62499623436995        172.44722365017358        7.4539732787768784        8.2548890629850238        4233.9910652220742        4570.5922909040492       -38.822227415803638       -35.520000000000010       -3.3022274158036282     
 qinv final   1.6398257758678922        0.0000000000000000        1428.0000000000000        137.03428422851789        172.44722365017373        7.4735101939876021        8.2548890629850256        4282.0556016351156        4570.5922909040510       -35.412939421655835       -35.520000000000010       0.10706057834417493     
 qinv final   1.6431882472307087        0.0000000000000000        1428.0000000000000        136.92723991280124        172.44722365017373        7.4729084974462872        8.2548890629850256        4280.5551296986050        4570.5922909040510       -35.519983737372485       -35.520000000000010        1.6262627525520656E-005
 qinv final   1.6431887574949089        0.0000000000000000        1428.0000000000000        136.92722365025497        172.44722365017373        7.4729084059775666        8.2548890629850256        4280.5549016996401        4570.5922909040510       -35.519999999918753       -35.520000000000010        8.1257667261525057E-011
 qinv final   1.6431888560867309        0.0000000000000000        1428.0000000000000        136.92722050805060        172.44722365017358        7.4729083883042282        8.2548890629850238        4280.5548576463070        4570.5922909040492       -35.520003142122988       -35.520000000000010       -3.1421229778061388E-006
 Changed q   1.6431887574949089        1.6431888041225082     
 before goinv   91.000000000000028        9.9999997764825821E-003   90.000000022351770        91.999999977648287     
 Changed Go   91.000000000000028        91.000000000000028     
 Changed Gop   2.2480422315144923        2.2480422315144923     
 Changed eta   2.4914986874340883        2.4914983312964076       -49.451999999999998        1428.0000000000000        0.0000000000000000     
 Invert for the following parameters
 F_0
           1           1 an                                                                              
           2           2 ab                                                                              
           3           3 sp                                                                              
           4           4 hc                                                                              
           5           5 fo                                                                              
           6           6 fa                                                                              
           7           7 mgwa                                                                            
           8           8 fewa                                                                            
           9           9 mgri                                                                            
          10          10 feri                                                                            
          11          11 en                                                                              
          12          12 fs                                                                              
          13          13 mgts                                                                            
          14          14 odi                                                                             
          15          15 di                                                                              
          16          16 he                                                                              
          17          17 cen                                                                             
          18          18 cats                                                                            
          19          19 jd                                                                              
          20          20 mgc2                                                                            
          21          21 fec2                                                                            
          22          22 capv                                                                            
          23          23 mgil                                                                            
          24          24 feil                                                                            
          25          25 co                                                                              
          26          26 hem                                                                             
          27          27 py                                                                              
          28          28 al                                                                              
          29          29 gr                                                                              
          30          30 mgmj                                                                            
          31          31 namj                                                                            
          32          32 qtz                                                                             
          33          33 coes                                                                            
          34          34 st                                                                              
          35          35 apbo                                                                            
          36          36 mgpv                                                                            
          37          37 fepv                                                                            
          38          38 alpv                                                                            
          39          39 hepv                                                                            
          40          40 hlpv                                                                            
          41          41 fapv                                                                            
          42          42 flpv                                                                            
          43          43 mppv                                                                            
          44          44 fppv                                                                            
          45          45 appv                                                                            
          46          46 hppv                                                                            
          47          47 lppv                                                                            
          48          48 pe                                                                              
          49          49 wu                                                                              
          50          50 wuls                                                                            
          51          51 anao                                                                            
          52          52 mag                                                                             
          53          53 mgcf                                                                            
          54          54 fecf                                                                            
          55          55 nacf                                                                            
          56          56 hmag                                                                            
          57          57 mnal                                                                            
          58          58 fnal                                                                            
          59          59 nnal                                                                            
          60          60 ky                                                                              
          61          61 neph                                                                            
          62          62 fea                                                                             
          63          63 feg                                                                             
          64          64 fee                                                                             
 theta_0
          65           2 ab                                                                              
          66           3 sp                                                                              
          67           4 hc                                                                              
          68           7 mgwa                                                                            
          69           8 fewa                                                                            
          70           9 mgri                                                                            
          71          10 feri                                                                            
          72          12 fs                                                                              
          73          13 mgts                                                                            
          74          14 odi                                                                             
          75          17 cen                                                                             
          76          20 mgc2                                                                            
          77          21 fec2                                                                            
          78          22 capv                                                                            
          79          23 mgil                                                                            
          80          24 feil                                                                            
          81          31 namj                                                                            
          82          33 coes                                                                            
          83          34 st                                                                              
          84          35 apbo                                                                            
          85          36 mgpv                                                                            
          86          37 fepv                                                                            
          87          38 alpv                                                                            
          88          39 hepv                                                                            
          89          40 hlpv                                                                            
          90          42 flpv                                                                            
          91          43 mppv                                                                            
          92          44 fppv                                                                            
          93          45 appv                                                                            
          94          46 hppv                                                                            
          95          47 lppv                                                                            
          96          50 wuls                                                                            
          97          51 anao                                                                            
          98          53 mgcf                                                                            
          99          54 fecf                                                                            
         100          55 nacf                                                                            
         101          56 hmag                                                                            
         102          57 mnal                                                                            
         103          58 fnal                                                                            
         104          59 nnal                                                                            
         105          63 feg                                                                             
         106          64 fee                                                                             
 W
Free W parametersp      2  1  3  4    -0.53321
Free W parameterol      3  1  5  6     4.69466
Free W parameterwa      4  1  7  8    13.20238
Free W parameterri      5  1  9 10     7.60074
Free W parameteropx     6  1 11 14    32.21744
Free W parameteropx     6  1 12 14    32.21744
Free W parameteropx     6  1 13 14    48.37041
Free W parametercpx     7  1 17 18    60.13281
Free W parametercpx     7  1 17 19    46.04607
Free W parameteril     10  1 23 25    59.34869
Free W parametergt     11  1 27 29    21.11758
Free W parametergt     11  1 27 30    22.67242
Free W parametergt     11  1 29 30    60.71820
Free W parametergt     11  1 30 31    70.87914
Free W parameterpv     16  1 36 37   -11.39617
Free W parameterpv     16  1 36 38    34.97987
Free W parameterpv     16  1 36 39    25.00375
Free W parameterpv     16  1 36 40     7.40310
Free W parameterpv     16  1 36 42    20.12147
Free W parameterpv     16  1 37 42   -27.05427
Free W parameterppv    17  1 43 44   -10.95549
Free W parametermw     18  1 48 50   -87.00327
Free W parametermw     18  1 49 50   -60.21906
Free W parametercf     19  1 53 55    60.82508
Free W parameternal    20  1 57 59   -60.78147
 size
Free size parameter nacf   55     4.45320
 Total parameters,msfit,mwfit,mzfit,ndata =          132          42          25           1         656
   1 fo                 1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -242.70198        12.00000      1063.00000
  Found one species comparison        fo       1.00000  -242.70198  -242.70198    1
  Found one species comparison        mgwa     1.00000  -242.61835  -242.70198    2
  Found one species comparison        mgri     1.00000  -242.14253  -242.70198    3
  Found two species comparison        en          pe       0.50000     0.25000  -240.62501  -242.70198    4
  Found two species comparison        cen         pe       0.50000     0.25000  -240.06156  -242.70198    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -240.99390  -242.70198    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -239.58730  -242.70198    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -239.59239  -242.70198    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -233.57590  -242.70198    9
  Found two species comparison        coes        pe       1.00000     0.50000  -234.98397  -242.70198   10
  Found two species comparison        st          pe       1.00000     0.50000  -237.85968  -242.70198   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -234.76549  -242.70198   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -236.51532  -242.70198   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -230.19646  -242.70198   14
   2 fo                 1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -248.61302        12.50000      1277.00000
  Found one species comparison        fo       1.00000  -248.61302  -248.61302    1
  Found one species comparison        mgwa     1.00000  -248.49792  -248.61302    2
  Found one species comparison        mgri     1.00000  -247.94054  -248.61302    3
  Found two species comparison        en          pe       0.50000     0.25000  -246.69918  -248.61302    4
  Found two species comparison        cen         pe       0.50000     0.25000  -246.09578  -248.61302    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -246.99483  -248.61302    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -245.45152  -248.61302    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -245.77317  -248.61302    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -239.44184  -248.61302    9
  Found two species comparison        coes        pe       1.00000     0.50000  -240.96893  -248.61302   10
  Found two species comparison        st          pe       1.00000     0.50000  -243.72040  -248.61302   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -240.58181  -248.61302   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -242.72330  -248.61302   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -236.23029  -248.61302   14
   3 fo                 1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -251.58644        13.30000      1447.00000
  Found one species comparison        fo       1.00000  -251.58644  -251.58644    1
  Found one species comparison        mgwa     1.00000  -251.57194  -251.58644    2
  Found one species comparison        mgri     1.00000  -250.99919  -251.58644    3
  Found two species comparison        en          pe       0.50000     0.25000  -249.86435  -251.58644    4
  Found two species comparison        cen         pe       0.50000     0.25000  -249.22063  -251.58644    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -250.12888  -251.58644    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -248.65644  -251.58644    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -249.12996  -251.58644    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -242.38631  -251.58644    9
  Found two species comparison        coes        pe       1.00000     0.50000  -244.04271  -251.58644   10
  Found two species comparison        st          pe       1.00000     0.50000  -246.97743  -251.58644   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -243.82134  -251.58644   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -246.29759  -251.58644   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -239.71170  -251.58644   14
   4 fo                 1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -269.47035        13.90000      1876.00000
  Found one species comparison        fo       1.00000  -269.47035  -269.47035    1
  Found one species comparison        mgwa     1.00000  -269.28953  -269.47035    2
  Found one species comparison        mgri     1.00000  -268.48496  -269.47035    3
  Found two species comparison        en          pe       0.50000     0.25000  -268.03204  -269.47035    4
  Found two species comparison        cen         pe       0.50000     0.25000  -267.33533  -269.47035    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -268.15365  -269.47035    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -266.21231  -269.47035    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -267.41828  -269.47035    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -260.25637  -269.47035    9
  Found two species comparison        coes        pe       1.00000     0.50000  -262.08940  -269.47035   10
  Found two species comparison        st          pe       1.00000     0.50000  -264.51119  -269.47035   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -261.24366  -269.47035   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -264.51309  -269.47035   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -257.55860  -269.47035   14
   5 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -239.54064        14.88000      1373.00000
  Found one species comparison        fo       1.00000  -239.02086  -239.54064    1
  Found one species comparison        mgwa     1.00000  -239.54064  -239.54064    2
  Found one species comparison        mgri     1.00000  -239.21638  -239.54064    3
  Found two species comparison        en          pe       0.50000     0.25000  -237.49315  -239.54064    4
  Found two species comparison        cen         pe       0.50000     0.25000  -236.82466  -239.54064    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -237.88969  -239.54064    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -237.23924  -239.54064    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -237.17402  -239.54064    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -229.83168  -239.54064    9
  Found two species comparison        coes        pe       1.00000     0.50000  -231.59661  -239.54064   10
  Found two species comparison        st          pe       1.00000     0.50000  -235.77997  -239.54064   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -232.71912  -239.54064   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -235.13530  -239.54064   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -228.79287  -239.54064   14
   6 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -230.72284        14.95000      1173.00000
  Found one species comparison        fo       1.00000  -230.00685  -230.72284    1
  Found one species comparison        mgwa     1.00000  -230.72284  -230.72284    2
  Found one species comparison        mgri     1.00000  -230.53433  -230.72284    3
  Found two species comparison        en          pe       0.50000     0.25000  -228.39504  -230.72284    4
  Found two species comparison        cen         pe       0.50000     0.25000  -227.77414  -230.72284    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -228.91891  -230.72284    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -228.62239  -230.72284    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -228.12694  -230.72284    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -220.86647  -230.72284    9
  Found two species comparison        coes        pe       1.00000     0.50000  -222.55105  -230.72284   10
  Found two species comparison        st          pe       1.00000     0.50000  -227.24283  -230.72284   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -224.24723  -230.72284   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -226.31863  -230.72284   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -220.19648  -230.72284   14
   7 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -229.39853        15.01000      1148.00000
  Found one species comparison        fo       1.00000  -228.64261  -229.39853    1
  Found one species comparison        mgwa     1.00000  -229.39853  -229.39853    2
  Found one species comparison        mgri     1.00000  -229.23255  -229.39853    3
  Found two species comparison        en          pe       0.50000     0.25000  -227.02733  -229.39853    4
  Found two species comparison        cen         pe       0.50000     0.25000  -226.41273  -229.39853    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -227.57191  -229.39853    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -227.34080  -229.39853    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -226.77931  -229.39853    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -219.51048  -229.39853    9
  Found two species comparison        coes        pe       1.00000     0.50000  -221.18773  -229.39853   10
  Found two species comparison        st          pe       1.00000     0.50000  -225.97858  -229.39853   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -222.99330  -229.39853   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -225.02433  -229.39853   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -218.93530  -229.39853   14
   8 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -222.93803        15.32000      1023.00000
  Found one species comparison        fo       1.00000  -221.97871  -222.93803    1
  Found one species comparison        mgwa     1.00000  -222.93803  -222.93803    2
  Found one species comparison        mgri     1.00000  -222.88341  -222.93803    3
  Found two species comparison        en          pe       0.50000     0.25000  -220.34665  -222.93803    4
  Found two species comparison        cen         pe       0.50000     0.25000  -219.76808  -222.93803    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -221.00091  -222.93803    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -221.09703  -222.93803    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -220.20383  -222.93803    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -212.89408  -222.93803    9
  Found two species comparison        coes        pe       1.00000     0.50000  -214.53086  -222.93803   10
  Found two species comparison        st          pe       1.00000     0.50000  -219.82562  -222.93803   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -216.89190  -222.93803   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -218.72361  -222.93803   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -212.80160  -222.93803   14
   9 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -234.34080        15.83000      1373.00000
  Found one species comparison        fo       1.00000  -233.54616  -234.34080    1
  Found one species comparison        mgwa     1.00000  -234.34080  -234.34080    2
  Found one species comparison        mgri     1.00000  -234.13184  -234.34080    3
  Found two species comparison        en          pe       0.50000     0.25000  -232.15137  -234.34080    4
  Found two species comparison        cen         pe       0.50000     0.25000  -231.46472  -234.34080    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -232.60573  -234.34080    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -232.36359  -234.34080    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -232.07161  -234.34080    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -224.36852  -234.34080    9
  Found two species comparison        coes        pe       1.00000     0.50000  -226.20378  -234.34080   10
  Found two species comparison        st          pe       1.00000     0.50000  -231.02355  -234.34080   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -228.00517  -234.34080   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -230.46179  -234.34080   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -224.21769  -234.34080   14
  10 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -229.13498        15.88000      1258.00000
  Found one species comparison        fo       1.00000  -228.22500  -229.13498    1
  Found one species comparison        mgwa     1.00000  -229.13498  -229.13498    2
  Found one species comparison        mgri     1.00000  -229.00377  -229.13498    3
  Found two species comparison        en          pe       0.50000     0.25000  -226.78114  -229.13498    4
  Found two species comparison        cen         pe       0.50000     0.25000  -226.12539  -229.13498    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -227.31315  -229.13498    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -227.27581  -229.13498    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -226.73439  -229.13498    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -219.07750  -229.13498    9
  Found two species comparison        coes        pe       1.00000     0.50000  -220.86401  -229.13498   10
  Found two species comparison        st          pe       1.00000     0.50000  -225.98395  -229.13498   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -223.00339  -229.13498   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -225.26133  -229.13498   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -219.14473  -229.13498   14
  11 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -222.58122        16.30000      1153.00000
  Found one species comparison        fo       1.00000  -221.45749  -222.58122    1
  Found one species comparison        mgwa     1.00000  -222.58122  -222.58122    2
  Found one species comparison        mgri     1.00000  -222.56219  -222.58122    3
  Found two species comparison        en          pe       0.50000     0.25000  -220.01886  -222.58122    4
  Found two species comparison        cen         pe       0.50000     0.25000  -219.39213  -222.58122    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -220.65323  -222.58122    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -220.95632  -222.58122    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -220.09926  -222.58122    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -212.35247  -222.58122    9
  Found two species comparison        coes        pe       1.00000     0.50000  -214.11389  -222.58122   10
  Found two species comparison        st          pe       1.00000     0.50000  -219.76001  -222.58122   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -216.82998  -222.58122   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -218.92422  -222.58122   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -212.96352  -222.58122   14
  12 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -234.67694        16.59000      1473.00000
  Found one species comparison        fo       1.00000  -233.75365  -234.67694    1
  Found one species comparison        mgwa     1.00000  -234.67694  -234.67694    2
  Found one species comparison        mgri     1.00000  -234.49594  -234.67694    3
  Found two species comparison        en          pe       0.50000     0.25000  -232.51320  -234.67694    4
  Found two species comparison        cen         pe       0.50000     0.25000  -231.78542  -234.67694    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -232.94900  -234.67694    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -232.86905  -234.67694    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -232.60486  -234.67694    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -224.56712  -234.67694    9
  Found two species comparison        coes        pe       1.00000     0.50000  -226.49960  -234.67694   10
  Found two species comparison        st          pe       1.00000     0.50000  -231.58894  -234.67694   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -228.57318  -234.67694   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -231.23745  -234.67694   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -224.96566  -234.67694   14
  13 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -225.20396        17.11000      1323.00000
  Found one species comparison        fo       1.00000  -224.00448  -225.20396    1
  Found one species comparison        mgwa     1.00000  -225.20396  -225.20396    2
  Found one species comparison        mgri     1.00000  -225.17686  -225.20396    3
  Found two species comparison        en          pe       0.50000     0.25000  -222.75880  -225.20396    4
  Found two species comparison        cen         pe       0.50000     0.25000  -222.06711  -225.20396    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -223.32597  -225.20396    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -223.70075  -225.20396    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -223.00604  -225.20396    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -214.86798  -225.20396    9
  Found two species comparison        coes        pe       1.00000     0.50000  -216.76328  -225.20396   10
  Found two species comparison        st          pe       1.00000     0.50000  -222.54028  -225.20396   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -219.59383  -225.20396   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -222.01553  -225.20396   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -215.95534  -225.20396   14
  14 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -227.66348        17.88000      1473.00000
  Found one species comparison        fo       1.00000  -226.38396  -227.66348    1
  Found one species comparison        mgwa     1.00000  -227.66348  -227.66348    2
  Found one species comparison        mgri     1.00000  -227.63526  -227.66348    3
  Found two species comparison        en          pe       0.50000     0.25000  -225.31850  -227.66348    4
  Found two species comparison        cen         pe       0.50000     0.25000  -224.56551  -227.66348    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -225.82592  -227.66348    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -226.28540  -227.66348    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -225.72338  -227.66348    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -217.22764  -227.66348    9
  Found two species comparison        coes        pe       1.00000     0.50000  -219.24374  -227.66348   10
  Found two species comparison        st          pe       1.00000     0.50000  -225.16404  -227.66348   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -222.20515  -227.66348   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -224.92105  -227.66348   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -218.77934  -227.66348   14
  15 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -240.95493        18.08000      1773.00000
  Found one species comparison        fo       1.00000  -239.87571  -240.95493    1
  Found one species comparison        mgwa     1.00000  -240.95493  -240.95493    2
  Found one species comparison        mgri     1.00000  -240.76261  -240.95493    3
  Found two species comparison        en          pe       0.50000     0.25000  -238.99556  -240.95493    4
  Found two species comparison        cen         pe       0.50000     0.25000  -238.15047  -240.95493    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -239.31820  -240.95493    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -239.38689  -240.95493    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -239.39632  -240.95493    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -230.66509  -240.95493    9
  Found two species comparison        coes        pe       1.00000     0.50000  -232.83287  -240.95493   10
  Found two species comparison        st          pe       1.00000     0.50000  -238.18999  -240.95493   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -235.14646  -240.95493   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -238.40605  -240.95493   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -231.97337  -240.95493   14
  16 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -240.63655        12.10000      1025.00000
  Found one species comparison        fo       1.00000  -240.65469  -240.63655    1
  Found one species comparison        mgwa     1.00000  -240.63655  -240.63655    2
  Found one species comparison        mgri     1.00000  -240.19807  -240.63655    3
  Found two species comparison        en          pe       0.50000     0.25000  -238.57631  -240.63655    4
  Found two species comparison        cen         pe       0.50000     0.25000  -238.01839  -240.63655    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -238.97383  -240.63655    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -237.67539  -240.63655    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -237.57672  -240.63655    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -231.53717  -240.63655    9
  Found two species comparison        coes        pe       1.00000     0.50000  -232.93997  -240.63655   10
  Found two species comparison        st          pe       1.00000     0.50000  -235.97424  -240.63655   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -232.89635  -240.63655   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -234.58653  -240.63655   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -228.31940  -240.63655   14
  17 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -243.19461        12.70000      1176.00000
  Found one species comparison        fo       1.00000  -243.15943  -243.19461    1
  Found one species comparison        mgwa     1.00000  -243.19461  -243.19461    2
  Found one species comparison        mgri     1.00000  -242.73082  -243.19461    3
  Found two species comparison        en          pe       0.50000     0.25000  -241.23140  -243.19461    4
  Found two species comparison        cen         pe       0.50000     0.25000  -240.63951  -243.19461    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -241.59240  -243.19461    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -240.30962  -243.19461    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -240.37207  -243.19461    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -234.00483  -243.19461    9
  Found two species comparison        coes        pe       1.00000     0.50000  -235.51531  -243.19461   10
  Found two species comparison        st          pe       1.00000     0.50000  -238.63628  -243.19461   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -235.53868  -243.19461   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -237.51460  -243.19461   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -231.15051  -243.19461   14
  18 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -251.21291        14.00000      1523.00000
  Found one species comparison        fo       1.00000  -251.08052  -251.21291    1
  Found one species comparison        mgwa     1.00000  -251.21291  -251.21291    2
  Found one species comparison        mgri     1.00000  -250.67722  -251.21291    3
  Found two species comparison        en          pe       0.50000     0.25000  -249.49555  -251.21291    4
  Found two species comparison        cen         pe       0.50000     0.25000  -248.82273  -251.21291    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -249.76315  -251.21291    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -248.47541  -251.21291    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -248.93340  -251.21291    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -241.86815  -251.21291    9
  Found two species comparison        coes        pe       1.00000     0.50000  -243.61358  -251.21291   10
  Found two species comparison        st          pe       1.00000     0.50000  -246.86212  -251.21291   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -243.71380  -251.21291   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -246.35607  -251.21291   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -239.76514  -251.21291   14
  19 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -254.36719        14.30000      1624.00000
  Found one species comparison        fo       1.00000  -254.22939  -254.36719    1
  Found one species comparison        mgwa     1.00000  -254.36719  -254.36719    2
  Found one species comparison        mgri     1.00000  -253.79959  -254.36719    3
  Found two species comparison        en          pe       0.50000     0.25000  -252.73496  -254.36719    4
  Found two species comparison        cen         pe       0.50000     0.25000  -252.04030  -254.36719    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -252.97106  -254.36719    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -251.64598  -254.36719    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -252.23872  -254.36719    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -245.00760  -254.36719    9
  Found two species comparison        coes        pe       1.00000     0.50000  -246.81285  -254.36719   10
  Found two species comparison        st          pe       1.00000     0.50000  -250.04302  -254.36719   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -246.87603  -254.36719   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -249.71132  -254.36719   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -243.04815  -254.36719   14
  20 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -243.13608        21.56000      2173.00000
  Found one species comparison        fo       1.00000  -241.48819  -243.13608    1
  Found one species comparison        mgwa     1.00000  -243.13608  -243.13608    2
  Found one species comparison        mgri     1.00000  -243.11164  -243.13608    3
  Found two species comparison        en          pe       0.50000     0.25000  -241.30598  -243.13608    4
  Found two species comparison        cen         pe       0.50000     0.25000  -240.22033  -243.13608    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -241.48507  -243.13608    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -242.36505  -243.13608    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -242.42193  -243.13608    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -232.31544  -243.13608    9
  Found two species comparison        coes        pe       1.00000     0.50000  -234.89748  -243.13608   10
  Found two species comparison        st          pe       1.00000     0.50000  -241.44594  -243.13608   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -238.43080  -243.13608   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -242.54594  -243.13608   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -236.04814  -243.13608   14
  21 mgwa               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -238.27592        22.46000      2173.00000
  Found one species comparison        fo       1.00000  -236.41050  -238.27592    1
  Found one species comparison        mgwa     1.00000  -238.27592  -238.27592    2
  Found one species comparison        mgri     1.00000  -238.35935  -238.27592    3
  Found two species comparison        en          pe       0.50000     0.25000  -236.34698  -238.27592    4
  Found two species comparison        cen         pe       0.50000     0.25000  -235.22447  -238.27592    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -236.54390  -238.27592    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -237.78814  -238.27592    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -237.65397  -238.27592    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -227.26591  -238.27592    9
  Found two species comparison        coes        pe       1.00000     0.50000  -229.90330  -238.27592   10
  Found two species comparison        st          pe       1.00000     0.50000  -236.96530  -238.27592   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -233.98943  -238.27592   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -238.13475  -238.27592   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -231.71982  -238.27592   14
  22 mgri               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -221.19897        14.98000       923.00000
  Found one species comparison        fo       1.00000  -220.28303  -221.19897    1
  Found one species comparison        mgwa     1.00000  -221.23397  -221.19897    2
  Found one species comparison        mgri     1.00000  -221.19897  -221.19897    3
  Found two species comparison        en          pe       0.50000     0.25000  -218.55883  -221.19897    4
  Found two species comparison        cen         pe       0.50000     0.25000  -218.01380  -221.19897    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -219.25781  -221.19897    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -219.36602  -221.19897    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -218.34902  -221.19897    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -211.22786  -221.19897    9
  Found two species comparison        coes        pe       1.00000     0.50000  -212.79311  -221.19897   10
  Found two species comparison        st          pe       1.00000     0.50000  -218.09112  -221.19897   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -215.17229  -221.19897   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -216.82216  -221.19897   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -210.97252  -221.19897   14
  23 mgri               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -219.39333        15.32000       923.00000
  Found one species comparison        fo       1.00000  -218.33920  -219.39333    1
  Found one species comparison        mgwa     1.00000  -219.38981  -219.39333    2
  Found one species comparison        mgri     1.00000  -219.39333  -219.39333    3
  Found two species comparison        en          pe       0.50000     0.25000  -216.66013  -219.39333    4
  Found two species comparison        cen         pe       0.50000     0.25000  -216.11543  -219.39333    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -217.38759  -219.39333    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -217.63754  -219.39333    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -216.53934  -219.39333    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -209.29278  -219.39333    9
  Found two species comparison        coes        pe       1.00000     0.50000  -210.87787  -219.39333   10
  Found two species comparison        st          pe       1.00000     0.50000  -216.40846  -219.39333   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -213.50449  -219.39333   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -215.16909  -219.39333   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -209.35499  -219.39333   14
  24 mgri               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -219.51492        16.30000      1073.00000
  Found one species comparison        fo       1.00000  -218.29089  -219.51492    1
  Found one species comparison        mgwa     1.00000  -219.48710  -219.51492    2
  Found one species comparison        mgri     1.00000  -219.51492  -219.51492    3
  Found two species comparison        en          pe       0.50000     0.25000  -216.81301  -219.51492    4
  Found two species comparison        cen         pe       0.50000     0.25000  -216.21417  -219.51492    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -217.50643  -219.51492    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -217.93287  -219.51492    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -216.91098  -219.51492    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -209.21430  -219.51492    9
  Found two species comparison        coes        pe       1.00000     0.50000  -210.93424  -219.51492   10
  Found two species comparison        st          pe       1.00000     0.50000  -216.76999  -219.51492   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -213.86408  -219.51492   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -215.82183  -219.51492   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -209.94736  -219.51492   14
  25 mgri               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -215.54232        16.37000       973.00000
  Found one species comparison        fo       1.00000  -214.14195  -215.54232    1
  Found one species comparison        mgwa     1.00000  -215.44953  -215.54232    2
  Found one species comparison        mgri     1.00000  -215.54232  -215.54232    3
  Found two species comparison        en          pe       0.50000     0.25000  -212.62430  -215.54232    4
  Found two species comparison        cen         pe       0.50000     0.25000  -212.06264  -215.54232    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -213.39998  -215.54232    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -214.00714  -215.54232    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -212.76356  -215.54232    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -205.10700  -215.54232    9
  Found two species comparison        coes        pe       1.00000     0.50000  -206.77659  -215.54232   10
  Found two species comparison        st          pe       1.00000     0.50000  -212.89705  -215.54232   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -210.02394  -215.54232   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -211.81627  -215.54232   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -206.05698  -215.54232   14
  26 mgri               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -218.25925        17.26000      1173.00000
  Found one species comparison        fo       1.00000  -216.80524  -218.25925    1
  Found one species comparison        mgwa     1.00000  -218.18081  -218.25925    2
  Found one species comparison        mgri     1.00000  -218.25925  -218.25925    3
  Found two species comparison        en          pe       0.50000     0.25000  -215.50303  -218.25925    4
  Found two species comparison        cen         pe       0.50000     0.25000  -214.86314  -218.25925    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -216.19109  -218.25925    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -216.85896  -218.25925    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -215.82005  -218.25925    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -207.72259  -218.25925    9
  Found two species comparison        coes        pe       1.00000     0.50000  -209.54861  -218.25925   10
  Found two species comparison        st          pe       1.00000     0.50000  -215.77882  -218.25925   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -212.88452  -218.25925   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -215.05242  -218.25925   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -209.16827  -218.25925   14
  27 mgri               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -221.70859        17.37000      1273.00000
  Found one species comparison        fo       1.00000  -220.35990  -221.70859    1
  Found one species comparison        mgwa     1.00000  -221.67599  -221.70859    2
  Found one species comparison        mgri     1.00000  -221.70859  -221.70859    3
  Found two species comparison        en          pe       0.50000     0.25000  -219.12316  -221.70859    4
  Found two species comparison        cen         pe       0.50000     0.25000  -218.44570  -221.70859    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -219.74336  -221.70859    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -220.30296  -221.70859    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -219.44504  -221.70859    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -211.24653  -221.70859    9
  Found two species comparison        coes        pe       1.00000     0.50000  -213.13154  -221.70859   10
  Found two species comparison        st          pe       1.00000     0.50000  -219.19535  -221.70859   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -216.27552  -221.70859   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -218.62060  -221.70859   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -212.64020  -221.70859   14
  28 mgri               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -209.17089        18.26000      1073.00000
  Found one species comparison        fo       1.00000  -207.18344  -209.17089    1
  Found one species comparison        mgwa     1.00000  -208.92566  -209.17089    2
  Found one species comparison        mgri     1.00000  -209.17089  -209.17089    3
  Found two species comparison        en          pe       0.50000     0.25000  -205.95736  -209.17089    4
  Found two species comparison        cen         pe       0.50000     0.25000  -205.35652  -209.17089    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -206.79956  -209.17089    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -208.02125  -209.17089    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -206.54825  -209.17089    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -198.17986  -209.17089    9
  Found two species comparison        coes        pe       1.00000     0.50000  -199.99811  -209.17089   10
  Found two species comparison        st          pe       1.00000     0.50000  -207.11600  -209.17089   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -204.29457  -209.17089   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -206.33184  -209.17089   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -200.65660  -209.17089   14
  29 mgri               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -210.74827        18.91000      1203.00000
  Found one species comparison        fo       1.00000  -208.70490  -210.74827    1
  Found one species comparison        mgwa     1.00000  -210.50348  -210.74827    2
  Found one species comparison        mgri     1.00000  -210.74827  -210.74827    3
  Found two species comparison        en          pe       0.50000     0.25000  -207.62932  -210.74827    4
  Found two species comparison        cen         pe       0.50000     0.25000  -206.96985  -210.74827    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -208.40894  -210.74827    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -209.69743  -210.74827    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -208.34564  -210.74827    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -199.67571  -210.74827    9
  Found two species comparison        coes        pe       1.00000     0.50000  -201.60007  -210.74827   10
  Found two species comparison        st          pe       1.00000     0.50000  -208.81700  -210.74827   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -205.98468  -210.74827   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -208.26917  -210.74827   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -202.51856  -210.74827   14
  30 mgri               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -199.09735        19.50000       973.00000
  Found one species comparison        fo       1.00000  -196.49831  -199.09735    1
  Found one species comparison        mgwa     1.00000  -198.66734  -199.09735    2
  Found one species comparison        mgri     1.00000  -199.09735  -199.09735    3
  Found two species comparison        en          pe       0.50000     0.25000  -195.37060  -199.09735    4
  Found two species comparison        cen         pe       0.50000     0.25000  -194.82443  -199.09735    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -196.39891  -199.09735    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -198.25292  -199.09735    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -196.29799  -199.09735    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -187.60472  -199.09735    9
  Found two species comparison        coes        pe       1.00000     0.50000  -189.40889  -199.09735   10
  Found two species comparison        st          pe       1.00000     0.50000  -197.56010  -199.09735   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -194.82033  -199.09735   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -196.73825  -199.09735   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -191.29472  -199.09735   14
  31 mgri               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -249.86048        22.49000      2383.00000
  Found one species comparison        fo       1.00000  -248.19622  -249.86048    1
  Found one species comparison        mgwa     1.00000  -249.90493  -249.86048    2
  Found one species comparison        mgri     1.00000  -249.86048  -249.86048    3
  Found two species comparison        en          pe       0.50000     0.25000  -248.26532  -249.86048    4
  Found two species comparison        cen         pe       0.50000     0.25000  -247.07409  -249.86048    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -248.32735  -249.86048    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -249.26071  -249.86048    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -249.54427  -249.86048    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -239.03559  -249.86048    9
  Found two species comparison        coes        pe       1.00000     0.50000  -241.77610  -249.86048   10
  Found two species comparison        st          pe       1.00000     0.50000  -248.38859  -249.86048   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -245.34874  -249.86048   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -249.88302  -249.86048   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -243.26966  -249.86048   14
  32 mgri               1.00   2.00   0.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -195.62262        24.61000      1544.00000
  Found one species comparison        fo       1.00000  -192.03478  -195.62262    1
  Found one species comparison        mgwa     1.00000  -194.95229  -195.62262    2
  Found one species comparison        mgri     1.00000  -195.62262  -195.62262    3
  Found two species comparison        en          pe       0.50000     0.25000  -191.83727  -195.62262    4
  Found two species comparison        cen         pe       0.50000     0.25000  -190.97311  -195.62262    5
  Found two species comparison        mgc2        pe       0.50000     0.25000  -192.64965  -195.62262    6
  Found two species comparison        mgil        pe       1.00000     0.25000  -195.64451  -195.62262    7
  Found two species comparison        mgmj        pe       0.25000     0.25000  -193.77896  -195.62262    8
  Found two species comparison        qtz         pe       1.00000     0.50000  -183.18880  -195.62262    9
  Found two species comparison        coes        pe       1.00000     0.50000  -185.53878  -195.62262   10
  Found two species comparison        st          pe       1.00000     0.50000  -195.31534  -195.62262   11
  Found two species comparison        apbo        pe       1.00000     0.50000  -192.62046  -195.62262   12
  Found two species comparison        mgpv        pe       1.00000     0.25000  -195.69928  -195.62262   13
  Found two species comparison        mppv        pe       1.00000     0.25000  -190.13038  -195.62262   14
  33 mgpvpe             4.00   8.00   0.00   0.00   0.00   0.00  16.00
Number of non-zero components,phases,Gapp    3    2      -249.88302        22.49000      2383.00000
  Found one species comparison        fo       4.00000  -248.19622  -249.88302    1
  Found one species comparison        mgwa     4.00000  -249.90493  -249.88302    2
  Found one species comparison        mgri     4.00000  -249.86048  -249.88302    3
  Found two species comparison        en          pe       2.00000     1.00000  -248.26532  -249.88302    4
  Found two species comparison        cen         pe       2.00000     1.00000  -247.07409  -249.88302    5
  Found two species comparison        mgc2        pe       2.00000     1.00000  -248.32735  -249.88302    6
  Found two species comparison        mgil        pe       4.00000     1.00000  -249.26071  -249.88302    7
  Found two species comparison        mgmj        pe       1.00000     1.00000  -249.54427  -249.88302    8
  Found two species comparison        qtz         pe       4.00000     2.00000  -239.03559  -249.88302    9
  Found two species comparison        coes        pe       4.00000     2.00000  -241.77610  -249.88302   10
  Found two species comparison        st          pe       4.00000     2.00000  -248.38859  -249.88302   11
  Found two species comparison        apbo        pe       4.00000     2.00000  -245.34874  -249.88302   12
  Found two species comparison        mgpv        pe       4.00000     1.00000  -249.88302  -249.88302   13
  Found two species comparison        mppv        pe       4.00000     1.00000  -243.26966  -249.88302   14
  34 mgpvpe             4.00   8.00   0.00   0.00   0.00   0.00  16.00
Number of non-zero components,phases,Gapp    3    2      -195.69928        24.61000      1544.00000
  Found one species comparison        fo       4.00000  -192.03478  -195.69928    1
  Found one species comparison        mgwa     4.00000  -194.95229  -195.69928    2
  Found one species comparison        mgri     4.00000  -195.62262  -195.69928    3
  Found two species comparison        en          pe       2.00000     1.00000  -191.83727  -195.69928    4
  Found two species comparison        cen         pe       2.00000     1.00000  -190.97311  -195.69928    5
  Found two species comparison        mgc2        pe       2.00000     1.00000  -192.64965  -195.69928    6
  Found two species comparison        mgil        pe       4.00000     1.00000  -195.64451  -195.69928    7
  Found two species comparison        mgmj        pe       1.00000     1.00000  -193.77896  -195.69928    8
  Found two species comparison        qtz         pe       4.00000     2.00000  -183.18880  -195.69928    9
  Found two species comparison        coes        pe       4.00000     2.00000  -185.53878  -195.69928   10
  Found two species comparison        st          pe       4.00000     2.00000  -195.31534  -195.69928   11
  Found two species comparison        apbo        pe       4.00000     2.00000  -192.62046  -195.69928   12
  Found two species comparison        mgpv        pe       4.00000     1.00000  -195.69928  -195.69928   13
  Found two species comparison        mppv        pe       4.00000     1.00000  -190.13038  -195.69928   14
  35 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -304.37347         0.00000       823.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -304.39099  -304.37347    1
  Found two species comparison        fo          coes     1.00000     1.00000  -303.85726  -304.37347    2
  Found two species comparison        fo          st       1.00000     1.00000  -299.31702  -304.37347    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -296.79902  -304.37347    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -301.33277  -304.37347    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -300.79905  -304.37347    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -296.25881  -304.37347    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -293.74081  -304.37347    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -299.94567  -304.37347    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -299.41195  -304.37347   10
  Found two species comparison        mgri        st       1.00000     1.00000  -294.87171  -304.37347   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -292.35371  -304.37347   12
  Found one species comparison        en       1.00000  -304.37347  -304.37347   13
  Found one species comparison        cen      1.00000  -303.75229  -304.37347   14
  Found one species comparison        mgc2     1.00000  -303.41127  -304.37347   15
  Found one species comparison        mgil     2.00000  -293.37882  -304.37347   16
  Found one species comparison        mgmj     0.50000  -297.48035  -304.37347   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -298.84929  -304.37347   18
  Found two species comparison        coes        pe       2.00000     0.50000  -297.78184  -304.37347   19
  Found two species comparison        st          pe       2.00000     0.50000  -288.70136  -304.37347   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -283.66536  -304.37347   21
  Found one species comparison        mgpv     2.00000  -284.59391  -304.37347   22
  Found one species comparison        mppv     2.00000  -274.09586  -304.37347   23
  36 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -326.51273         0.00000      1360.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -326.50602  -326.51273    1
  Found two species comparison        fo          coes     1.00000     1.00000  -325.69004  -326.51273    2
  Found two species comparison        fo          st       1.00000     1.00000  -320.43170  -326.51273    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -317.78051  -326.51273    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -323.09555  -326.51273    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -322.27957  -326.51273    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -317.02123  -326.51273    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -314.37005  -326.51273    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -321.33156  -326.51273    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -320.51558  -326.51273   10
  Found two species comparison        mgri        st       1.00000     1.00000  -315.25724  -326.51273   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -312.60606  -326.51273   12
  Found one species comparison        en       1.00000  -326.51273  -326.51273   13
  Found one species comparison        cen      1.00000  -326.07869  -326.51273   14
  Found one species comparison        mgc2     1.00000  -325.57356  -326.51273   15
  Found one species comparison        mgil     2.00000  -313.79024  -326.51273   16
  Found one species comparison        mgmj     0.50000  -319.44723  -326.51273   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -321.20058  -326.51273   18
  Found two species comparison        coes        pe       2.00000     0.50000  -319.56862  -326.51273   19
  Found two species comparison        st          pe       2.00000     0.50000  -309.05193  -326.51273   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -303.74957  -326.51273   21
  Found one species comparison        mgpv     2.00000  -305.90568  -326.51273   22
  Found one species comparison        mppv     2.00000  -294.63636  -326.51273   23
  37 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -344.68813         0.83000      1823.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -344.32013  -344.68813    1
  Found two species comparison        fo          coes     1.00000     1.00000  -343.48919  -344.68813    2
  Found two species comparison        fo          st       1.00000     1.00000  -338.20215  -344.68813    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -335.46024  -344.68813    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -340.90297  -344.68813    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -340.07203  -344.68813    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -334.78499  -344.68813    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -332.04308  -344.68813    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -338.87814  -344.68813    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -338.04719  -344.68813   10
  Found two species comparison        mgri        st       1.00000     1.00000  -332.76015  -344.68813   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -330.01824  -344.68813   12
  Found one species comparison        en       1.00000  -344.68813  -344.68813   13
  Found one species comparison        cen      1.00000  -344.44589  -344.68813   14
  Found one species comparison        mgc2     1.00000  -343.97146  -344.68813   15
  Found one species comparison        mgil     2.00000  -331.38095  -344.68813   16
  Found one species comparison        mgmj     0.50000  -337.96916  -344.68813   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -339.08340  -344.68813   18
  Found two species comparison        coes        pe       2.00000     0.50000  -337.42151  -344.68813   19
  Found two species comparison        st          pe       2.00000     0.50000  -326.84743  -344.68813   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -321.36361  -344.68813   21
  Found one species comparison        mgpv     2.00000  -324.67440  -344.68813   22
  Found one species comparison        mppv     2.00000  -312.97957  -344.68813   23
  38 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -282.61295         8.70000      1573.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -279.62145  -282.61295    1
  Found two species comparison        fo          coes     1.00000     1.00000  -280.40557  -282.61295    2
  Found two species comparison        fo          st       1.00000     1.00000  -279.94028  -282.61295    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -277.54935  -282.61295    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -278.49934  -282.61295    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -279.28346  -282.61295    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -278.81817  -282.61295    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -276.42724  -282.61295    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -277.58764  -282.61295    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -278.37176  -282.61295   10
  Found two species comparison        mgri        st       1.00000     1.00000  -277.90647  -282.61295   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -275.51554  -282.61295   12
  Found one species comparison        en       1.00000  -282.61295  -282.61295   13
  Found one species comparison        cen      1.00000  -281.92689  -282.61295   14
  Found one species comparison        mgc2     1.00000  -282.57044  -282.61295   15
  Found one species comparison        mgil     2.00000  -277.11941  -282.61295   16
  Found one species comparison        mgmj     0.50000  -279.81003  -282.61295   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -273.29907  -282.61295   18
  Found two species comparison        coes        pe       2.00000     0.50000  -274.86731  -282.61295   19
  Found two species comparison        st          pe       2.00000     0.50000  -273.93673  -282.61295   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -269.15488  -282.61295   21
  Found one species comparison        mgpv     2.00000  -272.61159  -282.61295   22
  Found one species comparison        mppv     2.00000  -262.51158  -282.61295   23
  39 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -276.11350         8.20000      1373.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -273.34329  -276.11350    1
  Found two species comparison        fo          coes     1.00000     1.00000  -274.06708  -276.11350    2
  Found two species comparison        fo          st       1.00000     1.00000  -273.62232  -276.11350    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -271.26150  -276.11350    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -272.21471  -276.11350    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -272.93850  -276.11350    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -272.49374  -276.11350    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -270.13292  -276.11350    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -271.36722  -276.11350    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -272.09102  -276.11350   10
  Found two species comparison        mgri        st       1.00000     1.00000  -271.64626  -276.11350   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -269.28544  -276.11350   12
  Found one species comparison        en       1.00000  -276.11350  -276.11350   13
  Found one species comparison        cen      1.00000  -275.42238  -276.11350   14
  Found one species comparison        mgc2     1.00000  -276.08341  -276.11350   15
  Found one species comparison        mgil     2.00000  -270.81302  -276.11350   16
  Found one species comparison        mgmj     0.50000  -273.11666  -276.11350   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -267.02764  -276.11350   18
  Found two species comparison        coes        pe       2.00000     0.50000  -268.47523  -276.11350   19
  Found two species comparison        st          pe       2.00000     0.50000  -267.58571  -276.11350   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -262.86407  -276.11350   21
  Found one species comparison        mgpv     2.00000  -265.79292  -276.11350   22
  Found one species comparison        mppv     2.00000  -255.89600  -276.11350   23
  40 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -293.82729        10.30000      1973.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -290.24722  -293.82729    1
  Found two species comparison        fo          coes     1.00000     1.00000  -291.20857  -293.82729    2
  Found two species comparison        fo          st       1.00000     1.00000  -291.01668  -293.82729    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -288.58515  -293.82729    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -289.28698  -293.82729    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -290.24833  -293.82729    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -290.05644  -293.82729    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -287.62491  -293.82729    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -288.30453  -293.82729    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -289.26588  -293.82729   10
  Found two species comparison        mgri        st       1.00000     1.00000  -289.07399  -293.82729   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -286.64246  -293.82729   12
  Found one species comparison        en       1.00000  -293.82729  -293.82729   13
  Found one species comparison        cen      1.00000  -293.11777  -293.82729   14
  Found one species comparison        mgc2     1.00000  -293.80865  -293.82729   15
  Found one species comparison        mgil     2.00000  -288.41952  -293.82729   16
  Found one species comparison        mgmj     0.50000  -291.65454  -293.82729   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -283.91602  -293.82729   18
  Found two species comparison        coes        pe       2.00000     0.50000  -285.83873  -293.82729   19
  Found two species comparison        st          pe       2.00000     0.50000  -285.45495  -293.82729   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -280.59189  -293.82729   21
  Found one species comparison        mgpv     2.00000  -285.16208  -293.82729   22
  Found one species comparison        mppv     2.00000  -274.77601  -293.82729   23
  41 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -274.62690         7.70000      1273.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -272.03622  -274.62690    1
  Found two species comparison        fo          coes     1.00000     1.00000  -272.70226  -274.62690    2
  Found two species comparison        fo          st       1.00000     1.00000  -272.13234  -274.62690    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -269.77790  -274.62690    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -270.84381  -274.62690    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -271.50984  -274.62690    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -270.93992  -274.62690    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -268.58548  -274.62690    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -270.00259  -274.62690    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -270.66863  -274.62690   10
  Found two species comparison        mgri        st       1.00000     1.00000  -270.09870  -274.62690   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -267.74426  -274.62690   12
  Found one species comparison        en       1.00000  -274.62690  -274.62690   13
  Found one species comparison        cen      1.00000  -273.94408  -274.62690   14
  Found one species comparison        mgc2     1.00000  -274.58076  -274.62690   15
  Found one species comparison        mgil     2.00000  -269.22343  -274.62690   16
  Found one species comparison        mgmj     0.50000  -271.42899  -274.62690   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -265.73970  -274.62690   18
  Found two species comparison        coes        pe       2.00000     0.50000  -267.07177  -274.62690   19
  Found two species comparison        st          pe       2.00000     0.50000  -265.93193  -274.62690   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -261.22305  -274.62690   21
  Found one species comparison        mgpv     2.00000  -263.87097  -274.62690   22
  Found one species comparison        mppv     2.00000  -254.03843  -274.62690   23
  42 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -288.63863         7.70000      1573.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -285.92386  -288.63863    1
  Found two species comparison        fo          coes     1.00000     1.00000  -286.59365  -288.63863    2
  Found two species comparison        fo          st       1.00000     1.00000  -285.59382  -288.63863    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -283.16842  -288.63863    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -284.55760  -288.63863    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -285.22739  -288.63863    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -284.22757  -288.63863    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -281.80216  -288.63863    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -283.54131  -288.63863    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -284.21110  -288.63863   10
  Found two species comparison        mgri        st       1.00000     1.00000  -283.21128  -288.63863   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -280.78587  -288.63863   12
  Found one species comparison        en       1.00000  -288.63863  -288.63863   13
  Found one species comparison        cen      1.00000  -288.00685  -288.63863   14
  Found one species comparison        mgc2     1.00000  -288.51902  -288.63863   15
  Found one species comparison        mgil     2.00000  -282.34975  -288.63863   16
  Found one species comparison        mgmj     0.50000  -285.42123  -288.63863   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -279.65433  -288.63863   18
  Found two species comparison        coes        pe       2.00000     0.50000  -280.99391  -288.63863   19
  Found two species comparison        st          pe       2.00000     0.50000  -278.99426  -288.63863   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -274.14345  -288.63863   21
  Found one species comparison        mgpv     2.00000  -277.52205  -288.63863   22
  Found one species comparison        mppv     2.00000  -267.26467  -288.63863   23
  43 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -317.92092         9.70000      2333.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -314.41847  -317.92092    1
  Found two species comparison        fo          coes     1.00000     1.00000  -315.27977  -317.92092    2
  Found two species comparison        fo          st       1.00000     1.00000  -314.33031  -317.92092    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -311.78919  -317.92092    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -313.15054  -317.92092    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -314.01184  -317.92092    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -313.06239  -317.92092    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -310.52127  -317.92092    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -311.86948  -317.92092    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -312.73078  -317.92092   10
  Found two species comparison        mgri        st       1.00000     1.00000  -311.78133  -317.92092   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -309.24021  -317.92092   12
  Found one species comparison        en       1.00000  -317.92092  -317.92092   13
  Found one species comparison        cen      1.00000  -317.38133  -317.92092   14
  Found one species comparison        mgc2     1.00000  -317.88812  -317.92092   15
  Found one species comparison        mgil     2.00000  -311.08993  -317.92092   16
  Found one species comparison        mgmj     0.50000  -315.54159  -317.92092   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -308.23459  -317.92092   18
  Found two species comparison        coes        pe       2.00000     0.50000  -309.95718  -317.92092   19
  Found two species comparison        st          pe       2.00000     0.50000  -308.05827  -317.92092   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -302.97604  -317.92092   21
  Found one species comparison        mgpv     2.00000  -308.39284  -317.92092   22
  Found one species comparison        mppv     2.00000  -297.50316  -317.92092   23
  44 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -317.92092         9.70000      2333.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -314.41847  -317.92092    1
  Found two species comparison        fo          coes     1.00000     1.00000  -315.27977  -317.92092    2
  Found two species comparison        fo          st       1.00000     1.00000  -314.33031  -317.92092    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -311.78919  -317.92092    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -313.15054  -317.92092    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -314.01184  -317.92092    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -313.06239  -317.92092    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -310.52127  -317.92092    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -311.86948  -317.92092    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -312.73078  -317.92092   10
  Found two species comparison        mgri        st       1.00000     1.00000  -311.78133  -317.92092   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -309.24021  -317.92092   12
  Found one species comparison        en       1.00000  -317.92092  -317.92092   13
  Found one species comparison        cen      1.00000  -317.38133  -317.92092   14
  Found one species comparison        mgc2     1.00000  -317.88812  -317.92092   15
  Found one species comparison        mgil     2.00000  -311.08993  -317.92092   16
  Found one species comparison        mgmj     0.50000  -315.54159  -317.92092   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -308.23459  -317.92092   18
  Found two species comparison        coes        pe       2.00000     0.50000  -309.95718  -317.92092   19
  Found two species comparison        st          pe       2.00000     0.50000  -308.05827  -317.92092   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -302.97604  -317.92092   21
  Found one species comparison        mgpv     2.00000  -308.39284  -317.92092   22
  Found one species comparison        mppv     2.00000  -297.50316  -317.92092   23
  45 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -313.67016        10.60000      2353.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -309.89552  -313.67016    1
  Found two species comparison        fo          coes     1.00000     1.00000  -310.87280  -313.67016    2
  Found two species comparison        fo          st       1.00000     1.00000  -310.34315  -313.67016    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -307.82933  -313.67016    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -308.82345  -313.67016    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -309.80073  -313.67016    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -309.27108  -313.67016    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -306.75726  -313.67016    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -307.63326  -313.67016    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -308.61055  -313.67016   10
  Found two species comparison        mgri        st       1.00000     1.00000  -308.08089  -313.67016   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -305.56707  -313.67016   12
  Found one species comparison        en       1.00000  -313.67016  -313.67016   13
  Found one species comparison        cen      1.00000  -313.04959  -313.67016   14
  Found one species comparison        mgc2     1.00000  -313.65240  -313.67016   15
  Found one species comparison        mgil     2.00000  -307.45645  -313.67016   16
  Found one species comparison        mgmj     0.50000  -311.63745  -313.67016   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -303.66090  -313.67016   18
  Found two species comparison        coes        pe       2.00000     0.50000  -305.61546  -313.67016   19
  Found two species comparison        st          pe       2.00000     0.50000  -304.55615  -313.67016   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -299.52851  -313.67016   21
  Found one species comparison        mgpv     2.00000  -305.06952  -313.67016   22
  Found one species comparison        mppv     2.00000  -294.28276  -313.67016   23
  46 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -245.85927        14.20000      1473.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -241.20010  -245.85927    1
  Found two species comparison        fo          coes     1.00000     1.00000  -242.42259  -245.85927    2
  Found two species comparison        fo          st       1.00000     1.00000  -244.86986  -245.85927    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -242.68360  -245.85927    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -241.36382  -245.85927    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -242.58631  -245.85927    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -245.03358  -245.85927    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -242.84732  -245.85927    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -241.03079  -245.85927    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -242.25327  -245.85927   10
  Found two species comparison        mgri        st       1.00000     1.00000  -244.70055  -245.85927   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -242.51429  -245.85927   12
  Found one species comparison        en       1.00000  -245.43521  -245.85927   13
  Found one species comparison        cen      1.00000  -244.49555  -245.85927   14
  Found one species comparison        mgc2     1.00000  -245.85927  -245.85927   15
  Found one species comparison        mgil     2.00000  -244.29905  -245.85927   16
  Found one species comparison        mgmj     0.50000  -244.72749  -245.85927   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -234.75483  -245.85927   18
  Found two species comparison        coes        pe       2.00000     0.50000  -237.19980  -245.85927   19
  Found two species comparison        st          pe       2.00000     0.50000  -242.09435  -245.85927   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -237.72183  -245.85927   21
  Found one species comparison        mgpv     2.00000  -241.30950  -245.85927   22
  Found one species comparison        mppv     2.00000  -232.18403  -245.85927   23
  47 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -274.90093        10.00000      1573.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -271.51311  -274.90093    1
  Found two species comparison        fo          coes     1.00000     1.00000  -272.42938  -274.90093    2
  Found two species comparison        fo          st       1.00000     1.00000  -272.64302  -274.90093    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -270.29627  -274.90093    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -270.69795  -274.90093    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -271.61421  -274.90093    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -271.82785  -274.90093    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -269.48111  -274.90093    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -269.91820  -274.90093    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -270.83446  -274.90093   10
  Found two species comparison        mgri        st       1.00000     1.00000  -271.04810  -274.90093   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -268.70135  -274.90093   12
  Found one species comparison        en       1.00000  -274.84618  -274.90093   13
  Found one species comparison        cen      1.00000  -274.09054  -274.90093   14
  Found one species comparison        mgc2     1.00000  -274.90093  -274.90093   15
  Found one species comparison        mgil     2.00000  -270.35646  -274.90093   16
  Found one species comparison        mgmj     0.50000  -272.56248  -274.90093   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -265.13754  -274.90093   18
  Found two species comparison        coes        pe       2.00000     0.50000  -266.97007  -274.90093   19
  Found two species comparison        st          pe       2.00000     0.50000  -267.39735  -274.90093   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -262.70386  -274.90093   21
  Found one species comparison        mgpv     2.00000  -266.25754  -274.90093   22
  Found one species comparison        mppv     2.00000  -256.35901  -274.90093   23
  48 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -278.43201         9.40000      1573.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -275.24389  -278.43201    1
  Found two species comparison        fo          coes     1.00000     1.00000  -276.10129  -278.43201    2
  Found two species comparison        fo          st       1.00000     1.00000  -276.00378  -278.43201    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -273.63673  -278.43201    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -274.28847  -278.43201    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -275.14588  -278.43201    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -275.04836  -278.43201    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -272.68132  -278.43201    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -273.44837  -278.43201    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -274.30577  -278.43201   10
  Found two species comparison        mgri        st       1.00000     1.00000  -274.20826  -278.43201   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -271.84121  -278.43201   12
  Found one species comparison        en       1.00000  -278.42179  -278.43201   13
  Found one species comparison        cen      1.00000  -277.69804  -278.43201   14
  Found one species comparison        mgc2     1.00000  -278.43201  -278.43201   15
  Found one species comparison        mgil     2.00000  -273.47278  -278.43201   16
  Found one species comparison        mgmj     0.50000  -275.90101  -278.43201   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -268.89084  -278.43201   18
  Found two species comparison        coes        pe       2.00000     0.50000  -270.60565  -278.43201   19
  Found two species comparison        st          pe       2.00000     0.50000  -270.41063  -278.43201   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -265.67653  -278.43201   21
  Found one species comparison        mgpv     2.00000  -269.18608  -278.43201   22
  Found one species comparison        mppv     2.00000  -259.19498  -278.43201   23
  49 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -273.13426         8.70000      1373.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -270.21695  -273.13426    1
  Found two species comparison        fo          coes     1.00000     1.00000  -270.99185  -273.13426    2
  Found two species comparison        fo          st       1.00000     1.00000  -270.81528  -273.13426    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -268.47139  -273.13426    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -269.20966  -273.13426    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -269.98456  -273.13426    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -269.80799  -273.13426    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -267.46410  -273.13426    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -268.41219  -273.13426    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -269.18709  -273.13426   10
  Found two species comparison        mgri        st       1.00000     1.00000  -269.01051  -273.13426   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -266.66662  -273.13426   12
  Found one species comparison        en       1.00000  -273.11868  -273.13426   13
  Found one species comparison        cen      1.00000  -272.40634  -273.13426   14
  Found one species comparison        mgc2     1.00000  -273.13426  -273.13426   15
  Found one species comparison        mgil     2.00000  -268.21417  -273.13426   16
  Found one species comparison        mgmj     0.50000  -270.32805  -273.13426   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -263.87980  -273.13426   18
  Found two species comparison        coes        pe       2.00000     0.50000  -265.42960  -273.13426   19
  Found two species comparison        st          pe       2.00000     0.50000  -265.07645  -273.13426   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -260.38867  -273.13426   21
  Found one species comparison        mgpv     2.00000  -263.35534  -273.13426   22
  Found one species comparison        mppv     2.00000  -253.53781  -273.13426   23
  50 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -274.31267         8.50000      1373.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -271.46582  -274.31267    1
  Found two species comparison        fo          coes     1.00000     1.00000  -272.22059  -274.31267    2
  Found two species comparison        fo          st       1.00000     1.00000  -271.93707  -274.31267    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -269.58642  -274.31267    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -270.41022  -274.31267    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -271.16499  -274.31267    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -270.88147  -274.31267    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -268.53082  -274.31267    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -269.59282  -274.31267    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -270.34759  -274.31267   10
  Found two species comparison        mgri        st       1.00000     1.00000  -270.06407  -274.31267   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -267.71342  -274.31267   12
  Found one species comparison        en       1.00000  -274.31530  -274.31267   13
  Found one species comparison        cen      1.00000  -273.61142  -274.31267   14
  Found one species comparison        mgc2     1.00000  -274.31267  -274.31267   15
  Found one species comparison        mgil     2.00000  -269.25300  -274.31267   16
  Found one species comparison        mgmj     0.50000  -271.44257  -274.31267   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -265.13696  -274.31267   18
  Found two species comparison        coes        pe       2.00000     0.50000  -266.64651  -274.31267   19
  Found two species comparison        st          pe       2.00000     0.50000  -266.07947  -274.31267   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -261.37817  -274.31267   21
  Found one species comparison        mgpv     2.00000  -264.32979  -274.31267   22
  Found one species comparison        mppv     2.00000  -254.48057  -274.31267   23
  51 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -291.43686        10.70000      1973.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -287.74999  -291.43686    1
  Found two species comparison        fo          coes     1.00000     1.00000  -288.75446  -291.43686    2
  Found two species comparison        fo          st       1.00000     1.00000  -288.76278  -291.43686    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -286.34507  -291.43686    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -286.88058  -291.43686    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -287.88505  -291.43686    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -287.89337  -291.43686    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -285.47566  -291.43686    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -285.94068  -291.43686    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -286.94515  -291.43686   10
  Found two species comparison        mgri        st       1.00000     1.00000  -286.95347  -291.43686   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -284.53576  -291.43686   12
  Found one species comparison        en       1.00000  -291.43855  -291.43686   13
  Found one species comparison        cen      1.00000  -290.69833  -291.43686   14
  Found one species comparison        mgc2     1.00000  -291.43686  -291.43686   15
  Found one species comparison        mgil     2.00000  -286.32832  -291.43686   16
  Found one species comparison        mgmj     0.50000  -289.41811  -291.43686   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -281.40100  -291.43686   18
  Found two species comparison        coes        pe       2.00000     0.50000  -283.40993  -291.43686   19
  Found two species comparison        st          pe       2.00000     0.50000  -283.42658  -291.43686   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -278.59116  -291.43686   21
  Found one species comparison        mgpv     2.00000  -283.19141  -291.43686   22
  Found one species comparison        mppv     2.00000  -272.86412  -291.43686   23
  52 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -269.47890         8.20000      1223.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -266.75853  -269.47890    1
  Found two species comparison        fo          coes     1.00000     1.00000  -267.47220  -269.47890    2
  Found two species comparison        fo          st       1.00000     1.00000  -267.24851  -269.47890    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -264.92253  -269.47890    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -265.71924  -269.47890    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -266.43291  -269.47890    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -266.20922  -269.47890    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -263.88324  -269.47890    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -264.95520  -269.47890    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -265.66887  -269.47890   10
  Found two species comparison        mgri        st       1.00000     1.00000  -265.44518  -269.47890   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -263.11920  -269.47890   12
  Found one species comparison        en       1.00000  -269.45623  -269.47890   13
  Found one species comparison        cen      1.00000  -268.75128  -269.47890   14
  Found one species comparison        mgc2     1.00000  -269.47890  -269.47890   15
  Found one species comparison        mgil     2.00000  -264.60433  -269.47890   16
  Found one species comparison        mgmj     0.50000  -266.47322  -269.47890   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -260.43928  -269.47890   18
  Found two species comparison        coes        pe       2.00000     0.50000  -261.86662  -269.47890   19
  Found two species comparison        st          pe       2.00000     0.50000  -261.41924  -269.47890   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -256.76728  -269.47890   21
  Found one species comparison        mgpv     2.00000  -259.33264  -269.47890   22
  Found one species comparison        mppv     2.00000  -249.65361  -269.47890   23
  53 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -271.63085         8.20000      1273.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -268.90443  -271.63085    1
  Found two species comparison        fo          coes     1.00000     1.00000  -269.62208  -271.63085    2
  Found two species comparison        fo          st       1.00000     1.00000  -269.32417  -271.63085    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -266.98664  -271.63085    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -267.83509  -271.63085    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -268.55275  -271.63085    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -268.25483  -271.63085    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -265.91730  -271.63085    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -267.04358  -271.63085    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -267.76124  -271.63085   10
  Found two species comparison        mgri        st       1.00000     1.00000  -267.46333  -271.63085   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -265.12580  -271.63085   12
  Found one species comparison        en       1.00000  -271.62714  -271.63085   13
  Found one species comparison        cen      1.00000  -270.92583  -271.63085   14
  Found one species comparison        mgc2     1.00000  -271.63085  -271.63085   15
  Found one species comparison        mgil     2.00000  -266.62508  -271.63085   16
  Found one species comparison        mgmj     0.50000  -268.63903  -271.63085   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -262.58545  -271.63085   18
  Found two species comparison        coes        pe       2.00000     0.50000  -264.02076  -271.63085   19
  Found two species comparison        st          pe       2.00000     0.50000  -263.42494  -271.63085   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -258.74988  -271.63085   21
  Found one species comparison        mgpv     2.00000  -261.43598  -271.63085   22
  Found one species comparison        mppv     2.00000  -251.68377  -271.63085   23
  54 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -232.44774        15.00000      1273.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -227.56316  -232.44774    1
  Found two species comparison        fo          coes     1.00000     1.00000  -228.77580  -232.44774    2
  Found two species comparison        fo          st       1.00000     1.00000  -231.92158  -232.44774    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -229.80459  -232.44774    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -228.01261  -232.44774    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -229.22525  -232.44774    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -232.37103  -232.44774    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -230.25404  -232.44774    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -227.84089  -232.44774    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -229.05353  -232.44774   10
  Found two species comparison        mgri        st       1.00000     1.00000  -232.19931  -232.44774   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -230.08232  -232.44774   12
  Found one species comparison        en       1.00000  -231.79830  -232.44774   13
  Found one species comparison        cen      1.00000  -230.89178  -232.44774   14
  Found one species comparison        mgc2     1.00000  -232.44774  -232.44774   15
  Found one species comparison        mgil     2.00000  -231.83752  -232.44774   16
  Found one species comparison        mgmj     0.50000  -231.41642  -232.44774   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -221.14693  -232.44774   18
  Found two species comparison        coes        pe       2.00000     0.50000  -223.57221  -232.44774   19
  Found two species comparison        st          pe       2.00000     0.50000  -229.86377  -232.44774   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -225.62980  -232.44774   21
  Found one species comparison        mgpv     2.00000  -228.77505  -232.44774   22
  Found one species comparison        mppv     2.00000  -220.06163  -232.44774   23
  55 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -243.09219        14.50000      1450.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -238.34920  -243.09219    1
  Found two species comparison        fo          coes     1.00000     1.00000  -239.58388  -243.09219    2
  Found two species comparison        fo          st       1.00000     1.00000  -242.21005  -243.09219    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -240.03845  -243.09219    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -238.58869  -243.09219    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -239.82338  -243.09219    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -242.44955  -243.09219    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -240.27795  -243.09219    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -238.29303  -243.09219    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -239.52771  -243.09219   10
  Found two species comparison        mgri        st       1.00000     1.00000  -242.15388  -243.09219   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -239.98228  -243.09219   12
  Found one species comparison        en       1.00000  -242.62787  -243.09219   13
  Found one species comparison        cen      1.00000  -241.68287  -243.09219   14
  Found one species comparison        mgc2     1.00000  -243.09219  -243.09219   15
  Found one species comparison        mgil     2.00000  -241.77118  -243.09219   16
  Found one species comparison        mgmj     0.50000  -242.03106  -243.09219   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -231.90619  -243.09219   18
  Found two species comparison        coes        pe       2.00000     0.50000  -234.37556  -243.09219   19
  Found two species comparison        st          pe       2.00000     0.50000  -239.62790  -243.09219   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -235.28470  -243.09219   21
  Found one species comparison        mgpv     2.00000  -238.83397  -243.09219   22
  Found one species comparison        mppv     2.00000  -229.78594  -243.09219   23
  56 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -248.01413        15.50000      1673.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -242.99336  -248.01413    1
  Found two species comparison        fo          coes     1.00000     1.00000  -244.34315  -248.01413    2
  Found two species comparison        fo          st       1.00000     1.00000  -247.08958  -248.01413    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -244.90009  -248.01413    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -243.30586  -248.01413    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -244.65566  -248.01413    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -247.40209  -248.01413    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -245.21259  -248.01413    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -242.99263  -248.01413    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -244.34243  -248.01413   10
  Found two species comparison        mgri        st       1.00000     1.00000  -247.08885  -248.01413   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -244.89936  -248.01413   12
  Found one species comparison        en       1.00000  -247.63840  -248.01413   13
  Found one species comparison        cen      1.00000  -246.60095  -248.01413   14
  Found one species comparison        mgc2     1.00000  -248.01413  -248.01413   15
  Found one species comparison        mgil     2.00000  -246.78756  -248.01413   16
  Found one species comparison        mgmj     0.50000  -247.35409  -248.01413   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -236.53408  -248.01413   18
  Found two species comparison        coes        pe       2.00000     0.50000  -239.23366  -248.01413   19
  Found two species comparison        st          pe       2.00000     0.50000  -244.72652  -248.01413   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -240.34753  -248.01413   21
  Found one species comparison        mgpv     2.00000  -244.51253  -248.01413   22
  Found one species comparison        mppv     2.00000  -235.28708  -248.01413   23
  57 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -307.66264        11.80000      2373.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -303.54343  -307.66264    1
  Found two species comparison        fo          coes     1.00000     1.00000  -304.66286  -307.66264    2
  Found two species comparison        fo          st       1.00000     1.00000  -304.68773  -307.66264    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -302.21146  -307.66264    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -302.72681  -307.66264    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -303.84624  -307.66264    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -303.87110  -307.66264    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -301.39483  -307.66264    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -301.65910  -307.66264    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -302.77854  -307.66264   10
  Found two species comparison        mgri        st       1.00000     1.00000  -302.80340  -307.66264   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -300.32713  -307.66264   12
  Found one species comparison        en       1.00000  -307.66669  -307.66264   13
  Found one species comparison        cen      1.00000  -306.93297  -307.66264   14
  Found one species comparison        mgc2     1.00000  -307.66264  -307.66264   15
  Found one species comparison        mgil     2.00000  -302.26738  -307.66264   16
  Found one species comparison        mgmj     0.50000  -306.07727  -307.66264   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -297.25056  -307.66264   18
  Found two species comparison        coes        pe       2.00000     0.50000  -299.48942  -307.66264   19
  Found two species comparison        st          pe       2.00000     0.50000  -299.53915  -307.66264   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -294.58661  -307.66264   21
  Found one species comparison        mgpv     2.00000  -300.27213  -307.66264   22
  Found one species comparison        mppv     2.00000  -289.62747  -307.66264   23
  58 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -295.25212        13.90000      2373.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -290.55332  -295.25212    1
  Found two species comparison        fo          coes     1.00000     1.00000  -291.88969  -295.25212    2
  Found two species comparison        fo          st       1.00000     1.00000  -292.89582  -295.25212    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -290.49223  -295.25212    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -290.17784  -295.25212    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -291.51421  -295.25212    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -292.52033  -295.25212    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -290.11675  -295.25212    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -289.33706  -295.25212    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -290.67343  -295.25212   10
  Found two species comparison        mgri        st       1.00000     1.00000  -291.67956  -295.25212   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -289.27597  -295.25212   12
  Found one species comparison        en       1.00000  -295.23872  -295.25212   13
  Found one species comparison        cen      1.00000  -294.29751  -295.25212   14
  Found one species comparison        mgc2     1.00000  -295.25212  -295.25212   15
  Found one species comparison        mgil     2.00000  -291.29527  -295.25212   16
  Found one species comparison        mgmj     0.50000  -294.38020  -295.25212   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -284.17734  -295.25212   18
  Found two species comparison        coes        pe       2.00000     0.50000  -286.85008  -295.25212   19
  Found two species comparison        st          pe       2.00000     0.50000  -288.86233  -295.25212   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -284.05516  -295.25212   21
  Found one species comparison        mgpv     2.00000  -289.89290  -295.25212   22
  Found one species comparison        mppv     2.00000  -279.53122  -295.25212   23
  59 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -294.72314        14.90000      2463.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -289.74527  -294.72314    1
  Found two species comparison        fo          coes     1.00000     1.00000  -291.17937  -294.72314    2
  Found two species comparison        fo          st       1.00000     1.00000  -292.52015  -294.72314    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -290.12922  -294.72314    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -289.52963  -294.72314    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -290.96373  -294.72314    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -292.30451  -294.72314    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -289.91358  -294.72314    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -288.74067  -294.72314    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -290.17476  -294.72314   10
  Found two species comparison        mgri        st       1.00000     1.00000  -291.51555  -294.72314   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -289.12461  -294.72314   12
  Found one species comparison        en       1.00000  -294.72214  -294.72314   13
  Found one species comparison        cen      1.00000  -293.69640  -294.72314   14
  Found one species comparison        mgc2     1.00000  -294.72314  -294.72314   15
  Found one species comparison        mgil     2.00000  -291.20382  -294.72314   16
  Found one species comparison        mgmj     0.50000  -294.20117  -294.72314   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -283.36236  -294.72314   18
  Found two species comparison        coes        pe       2.00000     0.50000  -286.23055  -294.72314   19
  Found two species comparison        st          pe       2.00000     0.50000  -288.91212  -294.72314   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -284.13025  -294.72314   21
  Found one species comparison        mgpv     2.00000  -290.26483  -294.72314   22
  Found one species comparison        mppv     2.00000  -279.93277  -294.72314   23
  60 mgc2               2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -293.53339        14.90000      2443.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -288.56031  -293.53339    1
  Found two species comparison        fo          coes     1.00000     1.00000  -289.99288  -293.53339    2
  Found two species comparison        fo          st       1.00000     1.00000  -291.35989  -293.53339    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -288.97369  -293.53339    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -288.35377  -293.53339    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -289.78635  -293.53339    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -291.15336  -293.53339    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -288.76716  -293.53339    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -287.57643  -293.53339    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -289.00901  -293.53339   10
  Found two species comparison        mgri        st       1.00000     1.00000  -290.37601  -293.53339   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -287.98981  -293.53339   12
  Found one species comparison        en       1.00000  -293.52833  -293.53339   13
  Found one species comparison        cen      1.00000  -292.49979  -293.53339   14
  Found one species comparison        mgc2     1.00000  -293.53339  -293.53339   15
  Found one species comparison        mgil     2.00000  -290.06396  -293.53339   16
  Found one species comparison        mgmj     0.50000  -293.00615  -293.53339   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -282.17259  -293.53339   18
  Found two species comparison        coes        pe       2.00000     0.50000  -285.03774  -293.53339   19
  Found two species comparison        st          pe       2.00000     0.50000  -287.77175  -293.53339   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -282.99935  -293.53339   21
  Found one species comparison        mgpv     2.00000  -289.08285  -293.53339   22
  Found one species comparison        mppv     2.00000  -278.77351  -293.53339   23
  61 mgmj               4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    1      -286.00513        16.50000      2473.00000
  Found two species comparison        fo          qtz      2.00000     2.00000  -280.64473  -286.00513    1
  Found two species comparison        fo          coes     2.00000     2.00000  -282.21489  -286.00513    2
  Found two species comparison        fo          st       2.00000     2.00000  -284.24665  -286.00513    3
  Found two species comparison        fo          apbo     2.00000     2.00000  -281.90709  -286.00513    4
  Found two species comparison        mgwa        qtz      2.00000     2.00000  -280.73461  -286.00513    5
  Found two species comparison        mgwa        coes     2.00000     2.00000  -282.30477  -286.00513    6
  Found two species comparison        mgwa        st       2.00000     2.00000  -284.33653  -286.00513    7
  Found two species comparison        mgwa        apbo     2.00000     2.00000  -281.99697  -286.00513    8
  Found two species comparison        mgri        qtz      2.00000     2.00000  -280.10337  -286.00513    9
  Found two species comparison        mgri        coes     2.00000     2.00000  -281.67353  -286.00513   10
  Found two species comparison        mgri        st       2.00000     2.00000  -283.70529  -286.00513   11
  Found two species comparison        mgri        apbo     2.00000     2.00000  -281.36573  -286.00513   12
  Found one species comparison        en       2.00000  -286.01373  -286.00513   13
  Found one species comparison        cen      2.00000  -284.83079  -286.00513   14
  Found one species comparison        mgc2     2.00000  -286.01244  -286.00513   15
  Found one species comparison        mgil     4.00000  -283.50571  -286.00513   16
  Found one species comparison        mgmj     1.00000  -286.00513  -286.00513   17
  Found two species comparison        qtz         pe       4.00000     1.00000  -274.22924  -286.00513   18
  Found two species comparison        coes        pe       4.00000     1.00000  -277.36957  -286.00513   19
  Found two species comparison        st          pe       4.00000     1.00000  -281.43309  -286.00513   20
  Found two species comparison        apbo        pe       4.00000     1.00000  -276.75397  -286.00513   21
  Found one species comparison        mgpv     4.00000  -283.01638  -286.00513   22
  Found one species comparison        mppv     4.00000  -272.88081  -286.00513   23
  62 mgmj               4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    1      -248.94214        21.20000      2273.00000
  Found two species comparison        fo          qtz      2.00000     2.00000  -241.31578  -248.94214    1
  Found two species comparison        fo          coes     2.00000     2.00000  -243.13812  -248.94214    2
  Found two species comparison        fo          st       2.00000     2.00000  -247.42269  -248.94214    3
  Found two species comparison        fo          apbo     2.00000     2.00000  -245.27908  -248.94214    4
  Found two species comparison        mgwa        qtz      2.00000     2.00000  -242.35326  -248.94214    5
  Found two species comparison        mgwa        coes     2.00000     2.00000  -244.17560  -248.94214    6
  Found two species comparison        mgwa        st       2.00000     2.00000  -248.46017  -248.94214    7
  Found two species comparison        mgwa        apbo     2.00000     2.00000  -246.31656  -248.94214    8
  Found two species comparison        mgri        qtz      2.00000     2.00000  -242.26045  -248.94214    9
  Found two species comparison        mgri        coes     2.00000     2.00000  -244.08279  -248.94214   10
  Found two species comparison        mgri        st       2.00000     2.00000  -248.36736  -248.94214   11
  Found two species comparison        mgri        apbo     2.00000     2.00000  -246.22375  -248.94214   12
  Found one species comparison        en       2.00000  -247.50727  -248.94214   13
  Found one species comparison        cen      2.00000  -245.97035  -248.94214   14
  Found one species comparison        mgc2     2.00000  -247.66479  -248.94214   15
  Found one species comparison        mgil     4.00000  -248.47142  -248.94214   16
  Found one species comparison        mgmj     1.00000  -248.94214  -248.94214   17
  Found two species comparison        qtz         pe       4.00000     1.00000  -234.88419  -248.94214   18
  Found two species comparison        coes        pe       4.00000     1.00000  -238.52887  -248.94214   19
  Found two species comparison        st          pe       4.00000     1.00000  -247.09801  -248.94214   20
  Found two species comparison        apbo        pe       4.00000     1.00000  -242.81080  -248.94214   21
  Found one species comparison        mgpv     4.00000  -248.81265  -248.94214   22
  Found one species comparison        mppv     4.00000  -239.53501  -248.94214   23
  63 mgil               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -206.84760        20.00000      1273.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -198.43200  -206.84760    1
  Found two species comparison        fo          coes     0.50000     0.50000  -199.84146  -206.84760    2
  Found two species comparison        fo          st       0.50000     0.50000  -205.25085  -206.84760    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -203.28606  -206.84760    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -199.84806  -206.84760    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -201.25753  -206.84760    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -206.66691  -206.84760    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -204.70212  -206.84760    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -200.07562  -206.84760    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -201.48509  -206.84760   10
  Found two species comparison        mgri        st       0.50000     0.50000  -206.89448  -206.84760   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -204.92969  -206.84760   12
  Found one species comparison        en       0.50000  -203.47368  -206.84760   13
  Found one species comparison        cen      0.50000  -202.49994  -206.84760   14
  Found one species comparison        mgc2     0.50000  -204.58439  -206.84760   15
  Found one species comparison        mgil     1.00000  -206.84760  -206.84760   16
  Found one species comparison        mgmj     0.25000  -204.81862  -206.84760   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -192.12770  -206.84760   18
  Found two species comparison        coes        pe       1.00000     0.25000  -194.94663  -206.84760   19
  Found two species comparison        st          pe       1.00000     0.25000  -205.76540  -206.84760   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -201.83582  -206.84760   21
  Found one species comparison        mgpv     1.00000  -205.26091  -206.84760   22
  Found one species comparison        mppv     1.00000  -197.25529  -206.84760   23
  64 mgil               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -233.73463        20.00000      1873.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -226.64396  -233.73463    1
  Found two species comparison        fo          coes     0.50000     0.50000  -228.28250  -233.73463    2
  Found two species comparison        fo          st       0.50000     0.50000  -232.69783  -233.73463    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -230.60478  -233.73463    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -227.69393  -233.73463    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -229.33247  -233.73463    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -233.74780  -233.73463    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -231.65475  -233.73463    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -227.67712  -233.73463    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -229.31566  -233.73463   10
  Found two species comparison        mgri        st       0.50000     0.50000  -233.73099  -233.73463   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -231.63795  -233.73463   12
  Found one species comparison        en       0.50000  -232.27919  -233.73463   13
  Found one species comparison        cen      0.50000  -230.97084  -233.73463   14
  Found one species comparison        mgc2     0.50000  -232.74292  -233.73463   15
  Found one species comparison        mgil     1.00000  -233.73463  -233.73463   16
  Found one species comparison        mgmj     0.25000  -233.43314  -233.73463   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -220.21838  -233.73463   18
  Found two species comparison        coes        pe       1.00000     0.25000  -223.49545  -233.73463   19
  Found two species comparison        st          pe       1.00000     0.25000  -232.32611  -233.73463   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -228.14003  -233.73463   21
  Found one species comparison        mgpv     1.00000  -233.05739  -233.73463   22
  Found one species comparison        mppv     1.00000  -224.17105  -233.73463   23
  65 mgil               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -223.10685        22.13000      1873.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -214.37619  -223.10685    1
  Found two species comparison        fo          coes     0.50000     0.50000  -216.09852  -223.10685    2
  Found two species comparison        fo          st       0.50000     0.50000  -221.39309  -223.10685    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -219.36464  -223.10685    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -215.79896  -223.10685    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -217.52129  -223.10685    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -222.81586  -223.10685    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -220.78741  -223.10685    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -215.95584  -223.10685    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -217.67817  -223.10685   10
  Found two species comparison        mgri        st       0.50000     0.50000  -222.97274  -223.10685   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -220.94429  -223.10685   12
  Found one species comparison        en       0.50000  -220.34466  -223.10685   13
  Found one species comparison        cen      0.50000  -218.94965  -223.10685   14
  Found one species comparison        mgc2     0.50000  -220.91383  -223.10685   15
  Found one species comparison        mgil     1.00000  -223.10685  -223.10685   16
  Found one species comparison        mgmj     0.25000  -222.16119  -223.10685   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -208.00460  -223.10685   18
  Found two species comparison        coes        pe       1.00000     0.25000  -211.44926  -223.10685   19
  Found two species comparison        st          pe       1.00000     0.25000  -222.03841  -223.10685   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -217.98150  -223.10685   21
  Found one species comparison        mgpv     1.00000  -223.00284  -223.10685   22
  Found one species comparison        mppv     1.00000  -214.39957  -223.10685   23
  66 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -207.06895        23.43000      1673.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -197.00673  -207.06895    1
  Found two species comparison        fo          coes     0.50000     0.50000  -198.68527  -207.06895    2
  Found two species comparison        fo          st       0.50000     0.50000  -204.83774  -207.06895    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -202.89021  -207.06895    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -198.77125  -207.06895    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -200.44978  -207.06895    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -206.60226  -207.06895    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -204.65473  -207.06895    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -199.10688  -207.06895    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -200.78542  -207.06895   10
  Found two species comparison        mgri        st       0.50000     0.50000  -206.93789  -207.06895   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -204.99036  -207.06895   12
  Found one species comparison        en       0.50000  -202.93694  -207.06895   13
  Found one species comparison        cen      0.50000  -201.63851  -207.06895   14
  Found one species comparison        mgc2     0.50000  -203.81761  -207.06895   15
  Found one species comparison        mgil     1.00000  -207.13046  -207.06895   16
  Found one species comparison        mgmj     0.25000  -205.22894  -207.06895   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -190.72417  -207.06895   18
  Found two species comparison        coes        pe       1.00000     0.25000  -194.08124  -207.06895   19
  Found two species comparison        st          pe       1.00000     0.25000  -206.38619  -207.06895   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -202.49113  -207.06895   21
  Found one species comparison        mgpv     1.00000  -207.06895  -207.06895   22
  Found one species comparison        mppv     1.00000  -198.92711  -207.06895   23
  67 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -201.81476        24.56000      1673.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -190.63807  -201.81476    1
  Found two species comparison        fo          coes     0.50000     0.50000  -192.34404  -201.81476    2
  Found two species comparison        fo          st       0.50000     0.50000  -198.94364  -201.81476    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -197.02903  -201.81476    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -192.58998  -201.81476    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -194.29595  -201.81476    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -200.89556  -201.81476    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -198.98094  -201.81476    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -193.00971  -201.81476    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -194.71568  -201.81476   10
  Found two species comparison        mgri        st       0.50000     0.50000  -201.31529  -201.81476   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -199.40067  -201.81476   12
  Found one species comparison        en       0.50000  -196.70325  -201.81476   13
  Found one species comparison        cen      0.50000  -195.38536  -201.81476   14
  Found one species comparison        mgc2     0.50000  -197.65801  -201.81476   15
  Found one species comparison        mgil     1.00000  -201.57178  -201.81476   16
  Found one species comparison        mgmj     0.25000  -199.34523  -201.81476   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -184.40452  -201.81476   18
  Found two species comparison        coes        pe       1.00000     0.25000  -187.81646  -201.81476   19
  Found two species comparison        st          pe       1.00000     0.25000  -201.01568  -201.81476   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -197.18645  -201.81476   21
  Found one species comparison        mgpv     1.00000  -201.81476  -201.81476   22
  Found one species comparison        mppv     1.00000  -193.82009  -201.81476   23
  68 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -220.51241        22.66000      1873.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -211.34909  -220.51241    1
  Found two species comparison        fo          coes     0.50000     0.50000  -213.08959  -220.51241    2
  Found two species comparison        fo          st       0.50000     0.50000  -218.59779  -220.51241    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -216.58519  -220.51241    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -212.86199  -220.51241    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -214.60249  -220.51241    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -220.11069  -220.51241    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -218.09809  -220.51241    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -213.06091  -220.51241    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -214.80141  -220.51241   10
  Found two species comparison        mgri        st       0.50000     0.50000  -220.30961  -220.51241   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -218.29701  -220.51241   12
  Found one species comparison        en       0.50000  -217.39384  -220.51241   13
  Found one species comparison        cen      0.50000  -215.97978  -220.51241   14
  Found one species comparison        mgc2     0.50000  -217.98967  -220.51241   15
  Found one species comparison        mgil     1.00000  -220.47529  -220.51241   16
  Found one species comparison        mgmj     0.25000  -219.37294  -220.51241   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -204.99420  -220.51241   18
  Found two species comparison        coes        pe       1.00000     0.25000  -208.47520  -220.51241   19
  Found two species comparison        st          pe       1.00000     0.25000  -219.49160  -220.51241   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -215.46640  -220.51241   21
  Found one species comparison        mgpv     1.00000  -220.51241  -220.51241   22
  Found one species comparison        mppv     1.00000  -211.97866  -220.51241   23
  69 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -221.68658        22.41000      1873.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -212.77573  -221.68658    1
  Found two species comparison        fo          coes     0.50000     0.50000  -214.50779  -221.68658    2
  Found two species comparison        fo          st       0.50000     0.50000  -219.91547  -221.68658    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -217.89540  -221.68658    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -214.24624  -221.68658    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -215.97830  -221.68658    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -221.38598  -221.68658    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -219.36591  -221.68658    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -214.42539  -221.68658    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -216.15745  -221.68658   10
  Found two species comparison        mgri        st       0.50000     0.50000  -221.56513  -221.68658   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -219.54506  -221.68658   12
  Found one species comparison        en       0.50000  -218.78483  -221.68658   13
  Found one species comparison        cen      0.50000  -217.37963  -221.68658   14
  Found one species comparison        mgc2     0.50000  -219.36806  -221.68658   15
  Found one species comparison        mgil     1.00000  -221.71596  -221.68658   16
  Found one species comparison        mgmj     0.25000  -220.68735  -221.68658   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -206.41281  -221.68658   18
  Found two species comparison        coes        pe       1.00000     0.25000  -209.87692  -221.68658   19
  Found two species comparison        st          pe       1.00000     0.25000  -220.69229  -221.68658   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -216.65215  -221.68658   21
  Found one species comparison        mgpv     1.00000  -221.68658  -221.68658   22
  Found one species comparison        mppv     1.00000  -213.12008  -221.68658   23
  70 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -241.55222        21.56000      2173.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -233.65044  -241.55222    1
  Found two species comparison        fo          coes     0.50000     0.50000  -235.45787  -241.55222    2
  Found two species comparison        fo          st       0.50000     0.50000  -240.04179  -241.55222    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -237.93119  -241.55222    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -234.80396  -241.55222    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -236.61139  -241.55222    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -241.19531  -241.55222    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -239.08471  -241.55222    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -234.78685  -241.55222    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -236.59428  -241.55222   10
  Found two species comparison        mgri        st       0.50000     0.50000  -241.17820  -241.55222   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -239.06760  -241.55222   12
  Found one species comparison        en       0.50000  -239.81627  -241.55222   13
  Found one species comparison        cen      0.50000  -238.29636  -241.55222   14
  Found one species comparison        mgc2     0.50000  -240.06700  -241.55222   15
  Found one species comparison        mgil     1.00000  -241.29897  -241.55222   16
  Found one species comparison        mgmj     0.25000  -241.37860  -241.55222   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -227.22951  -241.55222   18
  Found two species comparison        coes        pe       1.00000     0.25000  -230.84437  -241.55222   19
  Found two species comparison        st          pe       1.00000     0.25000  -240.01221  -241.55222   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -235.79101  -241.55222   21
  Found one species comparison        mgpv     1.00000  -241.55222  -241.55222   22
  Found one species comparison        mppv     1.00000  -232.45530  -241.55222   23
  71 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -237.28297        22.46000      2173.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -228.46781  -237.28297    1
  Found two species comparison        fo          coes     0.50000     0.50000  -230.31398  -237.28297    2
  Found two species comparison        fo          st       0.50000     0.50000  -235.25739  -237.28297    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -233.17427  -237.28297    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -229.77360  -237.28297    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -231.61977  -237.28297    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -236.56318  -237.28297    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -234.48007  -237.28297    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -229.83200  -237.28297    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -231.67817  -237.28297   10
  Found two species comparison        mgri        st       0.50000     0.50000  -236.62158  -237.28297   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -234.53847  -237.28297   12
  Found one species comparison        en       0.50000  -234.78009  -237.28297   13
  Found one species comparison        cen      0.50000  -233.20858  -237.28297   14
  Found one species comparison        mgc2     0.50000  -235.05577  -237.28297   15
  Found one species comparison        mgil     1.00000  -236.79772  -237.28297   16
  Found one species comparison        mgmj     0.25000  -236.60988  -237.28297   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -222.06660  -237.28297   18
  Found two species comparison        coes        pe       1.00000     0.25000  -225.75893  -237.28297   19
  Found two species comparison        st          pe       1.00000     0.25000  -235.64575  -237.28297   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -231.47952  -237.28297   21
  Found one species comparison        mgpv     1.00000  -237.28297  -237.28297   22
  Found one species comparison        mppv     1.00000  -228.30207  -237.28297   23
  72 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -235.57904        22.82000      2173.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -226.40302  -235.57904    1
  Found two species comparison        fo          coes     0.50000     0.50000  -228.26381  -235.57904    2
  Found two species comparison        fo          st       0.50000     0.50000  -233.34940  -235.57904    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -231.27721  -235.57904    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -227.76889  -235.57904    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -229.62968  -235.57904    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -234.71527  -235.57904    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -232.64308  -235.57904    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -227.85710  -235.57904    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -229.71788  -235.57904   10
  Found two species comparison        mgri        st       0.50000     0.50000  -234.80348  -235.57904   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -232.73129  -235.57904   12
  Found one species comparison        en       0.50000  -232.77174  -235.57904   13
  Found one species comparison        cen      0.50000  -231.18042  -235.57904   14
  Found one species comparison        mgc2     0.50000  -233.05759  -235.57904   15
  Found one species comparison        mgil     1.00000  -235.00149  -235.57904   16
  Found one species comparison        mgmj     0.25000  -234.70778  -235.57904   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -220.01074  -235.57904   18
  Found two species comparison        coes        pe       1.00000     0.25000  -223.73231  -235.57904   19
  Found two species comparison        st          pe       1.00000     0.25000  -233.90350  -235.57904   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -229.75912  -235.57904   21
  Found one species comparison        mgpv     1.00000  -235.57904  -235.57904   22
  Found one species comparison        mppv     1.00000  -226.64430  -235.57904   23
  73 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -247.19163        21.54000      2273.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -239.34589  -247.19163    1
  Found two species comparison        fo          coes     0.50000     0.50000  -241.18462  -247.19163    2
  Found two species comparison        fo          st       0.50000     0.50000  -245.60577  -247.19163    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -243.47268  -247.19163    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -240.44143  -247.19163    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -242.28016  -247.19163    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -246.70131  -247.19163    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -244.56822  -247.19163    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -240.37801  -247.19163    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -242.21674  -247.19163   10
  Found two species comparison        mgri        st       0.50000     0.50000  -246.63790  -247.19163   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -244.50481  -247.19163   12
  Found one species comparison        en       0.50000  -245.59655  -247.19163   13
  Found one species comparison        cen      0.50000  -244.03703  -247.19163   14
  Found one species comparison        mgc2     0.50000  -245.76072  -247.19163   15
  Found one species comparison        mgil     1.00000  -246.76331  -247.19163   16
  Found one species comparison        mgmj     0.25000  -247.13199  -247.19163   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -232.91978  -247.19163   18
  Found two species comparison        coes        pe       1.00000     0.25000  -236.59724  -247.19163   19
  Found two species comparison        st          pe       1.00000     0.25000  -245.43955  -247.19163   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -241.17337  -247.19163   21
  Found one species comparison        mgpv     1.00000  -247.19163  -247.19163   22
  Found one species comparison        mppv     1.00000  -237.95763  -247.19163   23
  74 mgwast             2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -227.18681        16.00000      1273.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -221.65875  -227.18681    1
  Found two species comparison        fo          coes     1.00000     1.00000  -222.91975  -227.18681    2
  Found two species comparison        fo          st       1.00000     1.00000  -226.53510  -227.18681    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -224.44918  -227.18681    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -222.31046  -227.18681    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -223.57146  -227.18681    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -227.18681  -227.18681    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -225.10089  -227.18681    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -222.22204  -227.18681    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -223.48304  -227.18681   10
  Found two species comparison        mgri        st       1.00000     1.00000  -227.09839  -227.18681   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -225.01247  -227.18681   12
  Found one species comparison        en       1.00000  -226.07490  -227.18681   13
  Found one species comparison        cen      1.00000  -225.14855  -227.18681   14
  Found one species comparison        mgc2     1.00000  -226.81680  -227.18681   15
  Found one species comparison        mgil     2.00000  -226.80208  -227.18681   16
  Found one species comparison        mgmj     0.50000  -226.04782  -227.18681   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -215.25431  -227.18681   18
  Found two species comparison        coes        pe       2.00000     0.50000  -217.77630  -227.18681   19
  Found two species comparison        st          pe       2.00000     0.50000  -225.00701  -227.18681   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -220.83517  -227.18681   21
  Found one species comparison        mgpv     2.00000  -224.03981  -227.18681   22
  Found one species comparison        mppv     2.00000  -215.47144  -227.18681   23
  75 mgwast             2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -230.64784        16.00000      1357.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -225.28121  -230.64784    1
  Found two species comparison        fo          coes     1.00000     1.00000  -226.56921  -230.64784    2
  Found two species comparison        fo          st       1.00000     1.00000  -230.04785  -230.64784    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -227.94375  -230.64784    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -225.88121  -230.64784    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -227.16920  -230.64784    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -230.64784  -230.64784    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -228.54374  -230.64784    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -225.75624  -230.64784    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -227.04424  -230.64784   10
  Found two species comparison        mgri        st       1.00000     1.00000  -230.52287  -230.64784   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -228.41878  -230.64784   12
  Found one species comparison        en       1.00000  -229.77012  -230.64784   13
  Found one species comparison        cen      1.00000  -228.81057  -230.64784   14
  Found one species comparison        mgc2     1.00000  -230.43498  -230.64784   15
  Found one species comparison        mgil     2.00000  -230.23304  -230.64784   16
  Found one species comparison        mgmj     0.50000  -229.72176  -230.64784   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -218.86152  -230.64784   18
  Found two species comparison        coes        pe       2.00000     0.50000  -221.43751  -230.64784   19
  Found two species comparison        st          pe       2.00000     0.50000  -228.39478  -230.64784   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -224.18659  -230.64784   21
  Found one species comparison        mgpv     2.00000  -227.59652  -230.64784   22
  Found one species comparison        mppv     2.00000  -218.90299  -230.64784   23
  76 mgwast             2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -235.64150        16.00000      1473.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -230.49659  -235.64150    1
  Found two species comparison        fo          coes     1.00000     1.00000  -231.81993  -235.64150    2
  Found two species comparison        fo          st       1.00000     1.00000  -235.11177  -235.64150    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -232.98234  -235.64150    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -231.02631  -235.64150    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -232.34965  -235.64150    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -235.64150  -235.64150    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -233.51207  -235.64150    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -230.84969  -235.64150    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -232.17303  -235.64150   10
  Found two species comparison        mgri        st       1.00000     1.00000  -235.46487  -235.64150   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -233.33545  -235.64150   12
  Found one species comparison        en       1.00000  -235.08264  -235.64150   13
  Found one species comparison        cen      1.00000  -234.08166  -235.64150   14
  Found one species comparison        mgc2     1.00000  -235.64690  -235.64150   15
  Found one species comparison        mgil     2.00000  -235.18358  -235.64150   16
  Found one species comparison        mgmj     0.50000  -235.00762  -235.64150   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -224.05933  -235.64150   18
  Found two species comparison        coes        pe       2.00000     0.50000  -226.70601  -235.64150   19
  Found two species comparison        st          pe       2.00000     0.50000  -233.28969  -235.64150   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -229.03085  -235.64150   21
  Found one species comparison        mgpv     2.00000  -232.72675  -235.64150   22
  Found one species comparison        mppv     2.00000  -223.86200  -235.64150   23
  77 mgwast             2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -230.45582        17.00000      1473.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -224.60837  -230.45582    1
  Found two species comparison        fo          coes     1.00000     1.00000  -225.98054  -230.45582    2
  Found two species comparison        fo          st       1.00000     1.00000  -229.72946  -230.45582    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -227.63113  -230.45582    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -225.33473  -230.45582    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -226.70690  -230.45582    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -230.45582  -230.45582    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -228.35750  -230.45582    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -225.24234  -230.45582    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -226.61452  -230.45582   10
  Found two species comparison        mgri        st       1.00000     1.00000  -230.36343  -230.45582   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -228.26511  -230.45582   12
  Found one species comparison        en       1.00000  -229.37523  -230.45582   13
  Found one species comparison        cen      1.00000  -228.34453  -230.45582   14
  Found one species comparison        mgc2     1.00000  -230.01721  -230.45582   15
  Found one species comparison        mgil     2.00000  -230.14722  -230.45582   16
  Found one species comparison        mgmj     0.50000  -229.64380  -230.45582   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -218.18356  -230.45582   18
  Found two species comparison        coes        pe       2.00000     0.50000  -220.92790  -230.45582   19
  Found two species comparison        st          pe       2.00000     0.50000  -228.42573  -230.45582   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -224.22909  -230.45582   21
  Found one species comparison        mgpv     2.00000  -227.98237  -230.45582   22
  Found one species comparison        mppv     2.00000  -219.26004  -230.45582   23
  78 mgwast             2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -244.10345        18.00000      1873.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -238.31904  -244.10345    1
  Found two species comparison        fo          coes     1.00000     1.00000  -239.86167  -244.10345    2
  Found two species comparison        fo          st       1.00000     1.00000  -243.42006  -244.10345    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -241.26502  -244.10345    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -239.00243  -244.10345    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -240.54506  -244.10345    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -244.10345  -244.10345    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -241.94841  -244.10345    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -238.81517  -244.10345    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -240.35779  -244.10345   10
  Found two species comparison        mgri        st       1.00000     1.00000  -243.91619  -244.10345   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -241.76114  -244.10345   12
  Found one species comparison        en       1.00000  -243.60161  -244.10345   13
  Found one species comparison        cen      1.00000  -242.38911  -244.10345   14
  Found one species comparison        mgc2     1.00000  -243.96847  -244.10345   15
  Found one species comparison        mgil     2.00000  -243.79225  -244.10345   16
  Found one species comparison        mgmj     0.50000  -244.11741  -244.10345   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -231.86289  -244.10345   18
  Found two species comparison        coes        pe       2.00000     0.50000  -234.94814  -244.10345   19
  Found two species comparison        st          pe       2.00000     0.50000  -242.06493  -244.10345   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -237.75484  -244.10345   21
  Found one species comparison        mgpv     2.00000  -242.56697  -244.10345   22
  Found one species comparison        mppv     2.00000  -233.40923  -244.10345   23
  79 mgrist             2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -215.47376        19.10000      1373.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -207.89737  -215.47376    1
  Found two species comparison        fo          coes     1.00000     1.00000  -209.31897  -215.47376    2
  Found two species comparison        fo          st       1.00000     1.00000  -214.16763  -215.47376    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -212.15487  -215.47376    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -209.08431  -215.47376    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -210.50591  -215.47376    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -215.35457  -215.47376    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -213.34181  -215.47376    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -209.20350  -215.47376    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -210.62510  -215.47376   10
  Found two species comparison        mgri        st       1.00000     1.00000  -215.47376  -215.47376   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -213.46101  -215.47376   12
  Found one species comparison        en       1.00000  -212.91316  -215.47376   13
  Found one species comparison        cen      1.00000  -211.88625  -215.47376   14
  Found one species comparison        mgc2     1.00000  -213.82735  -215.47376   15
  Found one species comparison        mgil     2.00000  -215.38155  -215.47376   16
  Found one species comparison        mgmj     0.50000  -213.92030  -215.47376   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -201.53826  -215.47376   18
  Found two species comparison        coes        pe       2.00000     0.50000  -204.38146  -215.47376   19
  Found two species comparison        st          pe       2.00000     0.50000  -214.07878  -215.47376   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -210.05327  -215.47376   21
  Found one species comparison        mgpv     2.00000  -213.67496  -215.47376   22
  Found one species comparison        mppv     2.00000  -205.39511  -215.47376   23
  80 mgrist             2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -228.70535        19.10000      1673.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -221.82128  -228.70535    1
  Found two species comparison        fo          coes     1.00000     1.00000  -223.35312  -228.70535    2
  Found two species comparison        fo          st       1.00000     1.00000  -227.70668  -228.70535    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -225.62953  -228.70535    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -222.82502  -228.70535    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -224.35686  -228.70535    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -228.71041  -228.70535    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -226.63326  -228.70535    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -222.81995  -228.70535    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -224.35179  -228.70535   10
  Found two species comparison        mgri        st       1.00000     1.00000  -228.70535  -228.70535   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -226.62819  -228.70535   12
  Found one species comparison        en       1.00000  -227.12492  -228.70535   13
  Found one species comparison        cen      1.00000  -225.94247  -228.70535   14
  Found one species comparison        mgc2     1.00000  -227.72739  -228.70535   15
  Found one species comparison        mgil     2.00000  -228.63791  -228.70535   16
  Found one species comparison        mgmj     0.50000  -228.04180  -228.70535   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -215.40362  -228.70535   18
  Found two species comparison        coes        pe       2.00000     0.50000  -218.46731  -228.70535   19
  Found two species comparison        st          pe       2.00000     0.50000  -227.17442  -228.70535   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -223.02012  -228.70535   21
  Found one species comparison        mgpv     2.00000  -227.38633  -228.70535   22
  Found one species comparison        mppv     2.00000  -218.66441  -228.70535   23
  81 fs                 2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -223.18240         5.00000      1173.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -222.02268  -223.18240    1
  Found two species comparison        fa          coes     1.00000     1.00000  -222.36212  -223.18240    2
  Found two species comparison        fa          st       1.00000     1.00000  -220.41576  -223.18240    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -217.99205  -223.18240    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -221.86092  -223.18240    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -222.20036  -223.18240    6
  Found two species comparison        fewa        st       1.00000     1.00000  -220.25400  -223.18240    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -217.83029  -223.18240    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -222.07004  -223.18240    9
  Found two species comparison        feri        coes     1.00000     1.00000  -222.40948  -223.18240   10
  Found two species comparison        feri        st       1.00000     1.00000  -220.46312  -223.18240   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -218.03941  -223.18240   12
  Found one species comparison        fs       1.00000  -223.18240  -223.18240   13
  Found one species comparison        fec2     1.00000  -223.14485  -223.18240   14
  Found one species comparison        feil     2.00000  -212.99331  -223.18240   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -216.52950  -223.18240   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -216.55462  -223.18240   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -216.38992  -223.18240   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -217.20837  -223.18240   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -217.23350  -223.18240   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -217.06879  -223.18240   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -213.31565  -223.18240   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -213.34078  -223.18240   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -213.17607  -223.18240   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -208.46823  -223.18240   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -208.49335  -223.18240   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -208.32865  -223.18240   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -216.49494  -223.18240   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -216.52006  -223.18240   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -216.35536  -223.18240   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -208.85082  -223.18240   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -208.87594  -223.18240   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -208.71124  -223.18240   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -210.19294  -223.18240   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -210.21806  -223.18240   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -210.05336  -223.18240   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -195.30387  -223.18240   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -195.32899  -223.18240   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -195.16429  -223.18240   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -219.76782  -223.18240   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -199.53115  -223.18240   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -218.78270  -223.18240   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -218.80154  -223.18240   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -218.67801  -223.18240   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -218.17023  -223.18240   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -218.18907  -223.18240   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -218.06554  -223.18240   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -217.17381  -223.18240   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -217.19893  -223.18240   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -217.03423  -223.18240   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -209.52969  -223.18240   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -209.55482  -223.18240   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -209.39011  -223.18240   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -210.87181  -223.18240   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -210.89694  -223.18240   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -210.73223  -223.18240   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -195.98274  -223.18240   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -196.00787  -223.18240   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -195.84316  -223.18240   59
  Found two species comparison        coes        wu       2.00000     0.50000  -220.44669  -223.18240   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -200.21002  -223.18240   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -219.46157  -223.18240   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -219.48042  -223.18240   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -219.35689  -223.18240   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -218.84910  -223.18240   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -218.86795  -223.18240   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -218.74442  -223.18240   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -213.28109  -223.18240   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -213.30622  -223.18240   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -213.14151  -223.18240   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -205.63698  -223.18240   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -205.66210  -223.18240   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -205.49740  -223.18240   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -206.97910  -223.18240   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -207.00422  -223.18240   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -206.83952  -223.18240   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -192.09002  -223.18240   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -192.11515  -223.18240   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -191.95044  -223.18240   79
  Found two species comparison        st          wu       2.00000     0.50000  -216.55397  -223.18240   80
  Found two species comparison        st          wuls     2.00000     0.50000  -196.31730  -223.18240   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -215.56885  -223.18240   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -215.58770  -223.18240   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -215.46417  -223.18240   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -214.95638  -223.18240   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -214.97523  -223.18240   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -214.85170  -223.18240   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -208.43367  -223.18240   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -208.45879  -223.18240   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -208.29409  -223.18240   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -200.78955  -223.18240   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -200.81467  -223.18240   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -200.64997  -223.18240   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -202.13167  -223.18240   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -202.15680  -223.18240   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -201.99209  -223.18240   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -187.24260  -223.18240   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -187.26772  -223.18240   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -187.10302  -223.18240   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -211.70655  -223.18240  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -191.46988  -223.18240  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -210.72143  -223.18240  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -210.74027  -223.18240  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -210.61674  -223.18240  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -210.10896  -223.18240  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -210.12780  -223.18240  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -210.00428  -223.18240  107
  Found one species comparison        fepv     2.00000  -206.47856  -223.18240  108
  Found one species comparison        flpv     2.00000  -180.60497  -223.18240  109
  Found one species comparison        fppv     2.00000  -201.80910  -223.18240  110
  82 fs                 2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -224.48406         5.50000      1263.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -223.18815  -224.48406    1
  Found two species comparison        fa          coes     1.00000     1.00000  -223.59074  -224.48406    2
  Found two species comparison        fa          st       1.00000     1.00000  -221.80420  -224.48406    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -219.37652  -224.48406    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -223.12490  -224.48406    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -223.52749  -224.48406    6
  Found two species comparison        fewa        st       1.00000     1.00000  -221.74095  -224.48406    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -219.31326  -224.48406    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -223.34315  -224.48406    9
  Found two species comparison        feri        coes     1.00000     1.00000  -223.74574  -224.48406   10
  Found two species comparison        feri        st       1.00000     1.00000  -221.95920  -224.48406   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -219.53151  -224.48406   12
  Found one species comparison        fs       1.00000  -224.48406  -224.48406   13
  Found one species comparison        fec2     1.00000  -224.45990  -224.48406   14
  Found one species comparison        feil     2.00000  -214.56117  -224.48406   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -217.50087  -224.48406   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -217.52888  -224.48406   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -217.35203  -224.48406   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -218.30605  -224.48406   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -218.33406  -224.48406   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -218.15721  -224.48406   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -214.73297  -224.48406   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -214.76098  -224.48406   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -214.58413  -224.48406   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -209.87760  -224.48406   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -209.90561  -224.48406   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -209.72876  -224.48406   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -217.49327  -224.48406   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -217.52127  -224.48406   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -217.34442  -224.48406   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -209.78327  -224.48406   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -209.81128  -224.48406   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -209.63443  -224.48406   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -211.21679  -224.48406   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -211.24480  -224.48406   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -211.06795  -224.48406   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -196.28790  -224.48406   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -196.31591  -224.48406   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -196.13906  -224.48406   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -220.99353  -224.48406   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -200.52892  -224.48406   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -219.85669  -224.48406   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -219.87770  -224.48406   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -219.74506  -224.48406   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -219.29580  -224.48406   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -219.31681  -224.48406   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -219.18417  -224.48406   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -218.29845  -224.48406   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -218.32646  -224.48406   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -218.14961  -224.48406   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -210.58845  -224.48406   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -210.61646  -224.48406   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -210.43961  -224.48406   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -212.02198  -224.48406   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -212.04998  -224.48406   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -211.87313  -224.48406   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -197.09308  -224.48406   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -197.12109  -224.48406   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -196.94424  -224.48406   59
  Found two species comparison        coes        wu       2.00000     0.50000  -221.79872  -224.48406   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -201.33410  -224.48406   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -220.66187  -224.48406   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -220.68288  -224.48406   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -220.55024  -224.48406   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -220.10098  -224.48406   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -220.12199  -224.48406   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -219.98935  -224.48406   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -214.72537  -224.48406   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -214.75338  -224.48406   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -214.57653  -224.48406   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -207.01538  -224.48406   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -207.04338  -224.48406   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -206.86654  -224.48406   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -208.44890  -224.48406   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -208.47691  -224.48406   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -208.30006  -224.48406   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -193.52001  -224.48406   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -193.54801  -224.48406   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -193.37116  -224.48406   79
  Found two species comparison        st          wu       2.00000     0.50000  -218.22564  -224.48406   80
  Found two species comparison        st          wuls     2.00000     0.50000  -197.76103  -224.48406   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -217.08880  -224.48406   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -217.10980  -224.48406   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -216.97716  -224.48406   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -216.52791  -224.48406   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -216.54891  -224.48406   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -216.41628  -224.48406   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -209.87000  -224.48406   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -209.89801  -224.48406   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -209.72116  -224.48406   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -202.16001  -224.48406   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -202.18801  -224.48406   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -202.01117  -224.48406   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -203.59353  -224.48406   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -203.62154  -224.48406   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -203.44469  -224.48406   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -188.66464  -224.48406   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -188.69264  -224.48406   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -188.51579  -224.48406   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -213.37027  -224.48406  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -192.90566  -224.48406  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -212.23343  -224.48406  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -212.25443  -224.48406  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -212.12179  -224.48406  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -211.67254  -224.48406  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -211.69354  -224.48406  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -211.56091  -224.48406  107
  Found one species comparison        fepv     2.00000  -208.30385  -224.48406  108
  Found one species comparison        flpv     2.00000  -182.39145  -224.48406  109
  Found one species comparison        fppv     2.00000  -203.57346  -224.48406  110
  83 fs                 2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -228.33482         6.00000      1398.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -226.90564  -228.33482    1
  Found two species comparison        fa          coes     1.00000     1.00000  -227.36717  -228.33482    2
  Found two species comparison        fa          st       1.00000     1.00000  -225.67400  -228.33482    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -223.23144  -228.33482    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -226.91102  -228.33482    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -227.37255  -228.33482    6
  Found two species comparison        fewa        st       1.00000     1.00000  -225.67937  -228.33482    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -223.23681  -228.33482    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -227.12249  -228.33482    9
  Found two species comparison        feri        coes     1.00000     1.00000  -227.58402  -228.33482   10
  Found two species comparison        feri        st       1.00000     1.00000  -225.89085  -228.33482   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -223.44829  -228.33482   12
  Found one species comparison        fs       1.00000  -228.33482  -228.33482   13
  Found one species comparison        fec2     1.00000  -228.30214  -228.33482   14
  Found one species comparison        feil     2.00000  -218.54407  -228.33482   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -220.95136  -228.33482   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -220.97885  -228.33482   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -220.78532  -228.33482   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -221.87442  -228.33482   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -221.90191  -228.33482   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -221.70838  -228.33482   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -218.48807  -228.33482   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -218.51557  -228.33482   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -218.32203  -228.33482   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -213.60296  -228.33482   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -213.63045  -228.33482   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -213.43692  -228.33482   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -220.99371  -228.33482   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -221.02120  -228.33482   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -220.82767  -228.33482   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -213.12973  -228.33482   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -213.15723  -228.33482   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -212.96369  -228.33482   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -214.70786  -228.33482   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -214.73535  -228.33482   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -214.54182  -228.33482   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -199.69645  -228.33482   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -199.72394  -228.33482   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -199.53040  -228.33482   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -224.80626  -228.33482   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -203.93130  -228.33482   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -223.48214  -228.33482   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -223.50276  -228.33482   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -223.35761  -228.33482   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -222.96788  -228.33482   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -222.98850  -228.33482   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -222.84335  -228.33482   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -221.91677  -228.33482   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -221.94427  -228.33482   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -221.75073  -228.33482   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -214.05280  -228.33482   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -214.08029  -228.33482   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -213.88676  -228.33482   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -215.63092  -228.33482   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -215.65841  -228.33482   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -215.46488  -228.33482   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -200.61951  -228.33482   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -200.64700  -228.33482   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -200.45347  -228.33482   59
  Found two species comparison        coes        wu       2.00000     0.50000  -225.72932  -228.33482   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -204.85436  -228.33482   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -224.40520  -228.33482   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -224.42582  -228.33482   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -224.28067  -228.33482   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -223.89094  -228.33482   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -223.91156  -228.33482   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -223.76641  -228.33482   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -218.53043  -228.33482   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -218.55792  -228.33482   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -218.36439  -228.33482   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -210.66645  -228.33482   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -210.69394  -228.33482   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -210.50041  -228.33482   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -212.24457  -228.33482   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -212.27207  -228.33482   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -212.07853  -228.33482   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -197.23316  -228.33482   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -197.26065  -228.33482   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -197.06712  -228.33482   79
  Found two species comparison        st          wu       2.00000     0.50000  -222.34298  -228.33482   80
  Found two species comparison        st          wuls     2.00000     0.50000  -201.46801  -228.33482   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -221.01886  -228.33482   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -221.03948  -228.33482   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -220.89433  -228.33482   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -220.50460  -228.33482   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -220.52522  -228.33482   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -220.38007  -228.33482   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -213.64531  -228.33482   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -213.67280  -228.33482   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -213.47927  -228.33482   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -205.78133  -228.33482   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -205.80883  -228.33482   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -205.61529  -228.33482   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -207.35946  -228.33482   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -207.38695  -228.33482   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -207.19341  -228.33482   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -192.34804  -228.33482   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -192.37554  -228.33482   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -192.18200  -228.33482   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -217.45786  -228.33482  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -196.58290  -228.33482  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -216.13374  -228.33482  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -216.15436  -228.33482  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -216.00921  -228.33482  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -215.61948  -228.33482  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -215.64010  -228.33482  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -215.49495  -228.33482  107
  Found one species comparison        fepv     2.00000  -212.60887  -228.33482  108
  Found one species comparison        flpv     2.00000  -186.62223  -228.33482  109
  Found one species comparison        fppv     2.00000  -207.76071  -228.33482  110
  84 fs                 2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -230.56896         6.50000      1498.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -229.00579  -230.56896    1
  Found two species comparison        fa          coes     1.00000     1.00000  -229.52727  -230.56896    2
  Found two species comparison        fa          st       1.00000     1.00000  -227.97448  -230.56896    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -225.52531  -230.56896    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -229.10239  -230.56896    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -229.62387  -230.56896    6
  Found two species comparison        fewa        st       1.00000     1.00000  -228.07108  -230.56896    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -225.62191  -230.56896    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -229.31942  -230.56896    9
  Found two species comparison        feri        coes     1.00000     1.00000  -229.84090  -230.56896   10
  Found two species comparison        feri        st       1.00000     1.00000  -228.28811  -230.56896   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -225.83894  -230.56896   12
  Found one species comparison        fs       1.00000  -230.56896  -230.56896   13
  Found one species comparison        fec2     1.00000  -230.53924  -230.56896   14
  Found one species comparison        feil     2.00000  -221.00808  -230.56896   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -222.85626  -230.56896   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -222.88233  -230.56896   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -222.67905  -230.56896   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -223.89922  -230.56896   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -223.92529  -230.56896   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -223.72200  -230.56896   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -220.79365  -230.56896   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -220.81972  -230.56896   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -220.61643  -230.56896   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -215.89530  -230.56896   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -215.92138  -230.56896   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -215.71809  -230.56896   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -222.93080  -230.56896   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -222.95688  -230.56896   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -222.75359  -230.56896   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -214.98112  -230.56896   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -215.00720  -230.56896   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -214.80391  -230.56896   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -216.66428  -230.56896   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -216.69035  -230.56896   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -216.48707  -230.56896   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -201.60405  -230.56896   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -201.63012  -230.56896   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -201.42683  -230.56896   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -226.98086  -230.56896   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -205.83756  -230.56896   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -225.50765  -230.56896   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -225.52720  -230.56896   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -225.37474  -230.56896   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -225.04454  -230.56896   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -225.06410  -230.56896   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -224.91163  -230.56896   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -223.97376  -230.56896   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -223.99983  -230.56896   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -223.79655  -230.56896   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -216.02408  -230.56896   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -216.05015  -230.56896   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -215.84687  -230.56896   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -217.70724  -230.56896   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -217.73331  -230.56896   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -217.53002  -230.56896   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -202.64701  -230.56896   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -202.67308  -230.56896   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -202.46979  -230.56896   59
  Found two species comparison        coes        wu       2.00000     0.50000  -228.02381  -230.56896   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -206.88052  -230.56896   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -226.55061  -230.56896   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -226.57016  -230.56896   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -226.41769  -230.56896   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -226.08750  -230.56896   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -226.10705  -230.56896   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -225.95459  -230.56896   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -220.86819  -230.56896   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -220.89426  -230.56896   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -220.69097  -230.56896   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -212.91851  -230.56896   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -212.94458  -230.56896   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -212.74129  -230.56896   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -214.60167  -230.56896   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -214.62774  -230.56896   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -214.42445  -230.56896   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -199.54143  -230.56896   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -199.56751  -230.56896   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -199.36422  -230.56896   79
  Found two species comparison        st          wu       2.00000     0.50000  -224.91824  -230.56896   80
  Found two species comparison        st          wuls     2.00000     0.50000  -203.77494  -230.56896   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -223.44503  -230.56896   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -223.46459  -230.56896   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -223.31212  -230.56896   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -222.98193  -230.56896   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -223.00148  -230.56896   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -222.84901  -230.56896   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -215.96984  -230.56896   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -215.99592  -230.56896   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -215.79263  -230.56896   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -208.02016  -230.56896   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -208.04624  -230.56896   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -207.84295  -230.56896   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -209.70332  -230.56896   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -209.72939  -230.56896   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -209.52611  -230.56896   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -194.64309  -230.56896   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -194.66916  -230.56896   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -194.46587  -230.56896   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -220.01990  -230.56896  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -198.87660  -230.56896  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -218.54669  -230.56896  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -218.56624  -230.56896  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -218.41378  -230.56896  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -218.08358  -230.56896  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -218.10314  -230.56896  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -217.95067  -230.56896  107
  Found one species comparison        fepv     2.00000  -215.34791  -230.56896  108
  Found one species comparison        flpv     2.00000  -189.31558  -230.56896  109
  Found one species comparison        fppv     2.00000  -210.42902  -230.56896  110
  85 fs                 2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -231.84068         7.00000      1578.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -230.14239  -231.84068    1
  Found two species comparison        fa          coes     1.00000     1.00000  -230.72416  -231.84068    2
  Found two species comparison        fa          st       1.00000     1.00000  -229.33670  -231.84068    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -226.88569  -231.84068    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -230.34229  -231.84068    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -230.92406  -231.84068    6
  Found two species comparison        fewa        st       1.00000     1.00000  -229.53660  -231.84068    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -227.08559  -231.84068    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -230.57169  -231.84068    9
  Found two species comparison        feri        coes     1.00000     1.00000  -231.15347  -231.84068   10
  Found two species comparison        feri        st       1.00000     1.00000  -229.76601  -231.84068   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -227.31500  -231.84068   12
  Found one species comparison        fs       1.00000  -231.84068  -231.84068   13
  Found one species comparison        fec2     1.00000  -231.81784  -231.84068   14
  Found one species comparison        feil     2.00000  -222.56184  -231.84068   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -223.83767  -231.84068   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -223.86239  -231.84068   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -223.65259  -231.84068   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -225.00122  -231.84068   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -225.02594  -231.84068   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -224.81613  -231.84068   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -222.22630  -231.84068   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -222.25102  -231.84068   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -222.04122  -231.84068   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -217.32428  -231.84068   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -217.34900  -231.84068   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -217.13919  -231.84068   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -223.93415  -231.84068   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -223.95886  -231.84068   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -223.74906  -231.84068   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -215.93787  -231.84068   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -215.96259  -231.84068   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -215.75279  -231.84068   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -217.70271  -231.84068   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -217.72743  -231.84068   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -217.51762  -231.84068   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -202.61276  -231.84068   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -202.63748  -231.84068   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -202.42767  -231.84068   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -228.18040  -231.84068   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -206.84980  -231.84068   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -226.57857  -231.84068   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -226.59711  -231.84068   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -226.43976  -231.84068   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -226.16862  -231.84068   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -226.18716  -231.84068   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -226.02981  -231.84068   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -225.09769  -231.84068   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -225.12241  -231.84068   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -224.91260  -231.84068   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -217.10142  -231.84068   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -217.12614  -231.84068   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -216.91633  -231.84068   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -218.86625  -231.84068   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -218.89097  -231.84068   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -218.68117  -231.84068   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -203.77630  -231.84068   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -203.80102  -231.84068   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -203.59122  -231.84068   59
  Found two species comparison        coes        wu       2.00000     0.50000  -229.34394  -231.84068   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -208.01334  -231.84068   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -227.74212  -231.84068   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -227.76066  -231.84068   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -227.60330  -231.84068   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -227.33216  -231.84068   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -227.35070  -231.84068   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -227.19335  -231.84068   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -222.32278  -231.84068   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -222.34749  -231.84068   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -222.13769  -231.84068   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -214.32650  -231.84068   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -214.35122  -231.84068   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -214.14142  -231.84068   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -216.09134  -231.84068   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -216.11606  -231.84068   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -215.90625  -231.84068   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -201.00139  -231.84068   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -201.02611  -231.84068   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -200.81630  -231.84068   79
  Found two species comparison        st          wu       2.00000     0.50000  -226.56903  -231.84068   80
  Found two species comparison        st          wuls     2.00000     0.50000  -205.23843  -231.84068   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -224.96720  -231.84068   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -224.98574  -231.84068   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -224.82839  -231.84068   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -224.55725  -231.84068   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -224.57579  -231.84068   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -224.41844  -231.84068   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -217.42075  -231.84068   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -217.44547  -231.84068   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -217.23567  -231.84068   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -209.42448  -231.84068   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -209.44920  -231.84068   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -209.23939  -231.84068   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -211.18932  -231.84068   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -211.21404  -231.84068   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -211.00423  -231.84068   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -196.09937  -231.84068   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -196.12409  -231.84068   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -195.91428  -231.84068   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -221.66700  -231.84068  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -200.33640  -231.84068  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -220.06518  -231.84068  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -220.08372  -231.84068  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -219.92637  -231.84068  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -219.65523  -231.84068  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -219.67377  -231.84068  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -219.51641  -231.84068  107
  Found one species comparison        fepv     2.00000  -217.14836  -231.84068  108
  Found one species comparison        flpv     2.00000  -191.08645  -231.84068  109
  Found one species comparison        fppv     2.00000  -212.18466  -231.84068  110
  86 fec2               2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -219.99484         5.50000      1173.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -218.68086  -219.99484    1
  Found two species comparison        fa          coes     1.00000     1.00000  -219.08738  -219.99484    2
  Found two species comparison        fa          st       1.00000     1.00000  -217.42987  -219.99484    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -215.02350  -219.99484    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -218.67724  -219.99484    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -219.08376  -219.99484    6
  Found two species comparison        fewa        st       1.00000     1.00000  -217.42624  -219.99484    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -215.01987  -219.99484    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -218.92700  -219.99484    9
  Found two species comparison        feri        coes     1.00000     1.00000  -219.33352  -219.99484   10
  Found two species comparison        feri        st       1.00000     1.00000  -217.67600  -219.99484   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -215.26964  -219.99484   12
  Found one species comparison        fs       1.00000  -219.97765  -219.99484   13
  Found one species comparison        fec2     1.00000  -219.99484  -219.99484   14
  Found one species comparison        feil     2.00000  -210.31812  -219.99484   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -213.16412  -219.99484   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -213.19175  -219.99484   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -213.02994  -219.99484   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -213.97716  -219.99484   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -214.00479  -219.99484   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -213.84298  -219.99484   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -210.66213  -219.99484   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -210.68976  -219.99484   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -210.52795  -219.99484   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -205.84940  -219.99484   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -205.87702  -219.99484   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -205.71522  -219.99484   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -213.11159  -219.99484   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -213.13922  -219.99484   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -212.97741  -219.99484   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -205.57642  -219.99484   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -205.60404  -219.99484   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -205.44224  -219.99484   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -206.90776  -219.99484   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -206.93538  -219.99484   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -206.77358  -219.99484   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -192.06514  -219.99484   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -192.09276  -219.99484   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -191.93096  -219.99484   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -216.42584  -219.99484   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -196.32593  -219.99484   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -215.37903  -219.99484   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -215.39974  -219.99484   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -215.27839  -219.99484   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -214.83024  -219.99484   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -214.85096  -219.99484   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -214.72960  -219.99484   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -213.92463  -219.99484   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -213.95226  -219.99484   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -213.79045  -219.99484   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -206.38946  -219.99484   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -206.41708  -219.99484   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -206.25528  -219.99484   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -207.72080  -219.99484   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -207.74842  -219.99484   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -207.58662  -219.99484   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -192.87818  -219.99484   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -192.90580  -219.99484   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -192.74400  -219.99484   59
  Found two species comparison        coes        wu       2.00000     0.50000  -217.23888  -219.99484   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -197.13897  -219.99484   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -216.19207  -219.99484   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -216.21278  -219.99484   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -216.09143  -219.99484   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -215.64328  -219.99484   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -215.66400  -219.99484   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -215.54264  -219.99484   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -210.60960  -219.99484   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -210.63723  -219.99484   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -210.47542  -219.99484   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -203.07443  -219.99484   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -203.10205  -219.99484   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -202.94025  -219.99484   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -204.40577  -219.99484   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -204.43339  -219.99484   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -204.27159  -219.99484   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -189.56315  -219.99484   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -189.59077  -219.99484   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -189.42897  -219.99484   79
  Found two species comparison        st          wu       2.00000     0.50000  -213.92385  -219.99484   80
  Found two species comparison        st          wuls     2.00000     0.50000  -193.82394  -219.99484   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -212.87704  -219.99484   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -212.89775  -219.99484   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -212.77640  -219.99484   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -212.32825  -219.99484   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -212.34897  -219.99484   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -212.22761  -219.99484   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -205.79687  -219.99484   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -205.82449  -219.99484   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -205.66269  -219.99484   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -198.26169  -219.99484   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -198.28932  -219.99484   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -198.12751  -219.99484   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -199.59304  -219.99484   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -199.62066  -219.99484   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -199.45886  -219.99484   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -184.75042  -219.99484   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -184.77804  -219.99484   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -184.61624  -219.99484   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -209.11111  -219.99484  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -189.01121  -219.99484  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -208.06430  -219.99484  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -208.08502  -219.99484  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -207.96367  -219.99484  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -207.51551  -219.99484  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -207.53623  -219.99484  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -207.41488  -219.99484  107
  Found one species comparison        fepv     2.00000  -203.93793  -219.99484  108
  Found one species comparison        flpv     2.00000  -178.09817  -219.99484  109
  Found one species comparison        fppv     2.00000  -199.32673  -219.99484  110
  87 fec2               2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -219.34026         6.50000      1286.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -217.70911  -219.34026    1
  Found two species comparison        fa          coes     1.00000     1.00000  -218.23919  -219.34026    2
  Found two species comparison        fa          st       1.00000     1.00000  -216.98617  -219.34026    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -214.58766  -219.34026    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -217.94223  -219.34026    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -218.47231  -219.34026    6
  Found two species comparison        fewa        st       1.00000     1.00000  -217.21929  -219.34026    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -214.82078  -219.34026    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -218.23169  -219.34026    9
  Found two species comparison        feri        coes     1.00000     1.00000  -218.76176  -219.34026   10
  Found two species comparison        feri        st       1.00000     1.00000  -217.50874  -219.34026   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -215.11023  -219.34026   12
  Found one species comparison        fs       1.00000  -219.27722  -219.34026   13
  Found one species comparison        fec2     1.00000  -219.34026  -219.34026   14
  Found one species comparison        feil     2.00000  -210.32526  -219.34026   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -211.93847  -219.34026   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -211.97098  -219.34026   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -211.79501  -219.34026   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -212.99862  -219.34026   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -213.03114  -219.34026   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -212.85516  -219.34026   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -210.49257  -219.34026   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -210.52509  -219.34026   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -210.34911  -219.34026   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -205.69556  -219.34026   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -205.72807  -219.34026   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -205.55210  -219.34026   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -211.90721  -219.34026   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -211.93973  -219.34026   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -211.76375  -219.34026   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -204.36914  -219.34026   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -204.40165  -219.34026   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -204.22568  -219.34026   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -205.80619  -219.34026   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -205.83870  -219.34026   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -205.66273  -219.34026   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -190.94772  -219.34026   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -190.98023  -219.34026   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -190.80426  -219.34026   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -215.53744  -219.34026   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -195.25175  -219.34026   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -214.25564  -219.34026   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -214.28002  -219.34026   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -214.14804  -219.34026   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -213.81744  -219.34026   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -213.84182  -219.34026   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -213.70984  -219.34026   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -212.96737  -219.34026   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -212.99988  -219.34026   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -212.82391  -219.34026   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -205.42930  -219.34026   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -205.46181  -219.34026   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -205.28584  -219.34026   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -206.86635  -219.34026   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -206.89886  -219.34026   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -206.72289  -219.34026   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -192.00788  -219.34026   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -192.04039  -219.34026   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -191.86442  -219.34026   59
  Found two species comparison        coes        wu       2.00000     0.50000  -216.59760  -219.34026   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -196.31191  -219.34026   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -215.31580  -219.34026   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -215.34018  -219.34026   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -215.20820  -219.34026   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -214.87760  -219.34026   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -214.90198  -219.34026   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -214.77000  -219.34026   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -210.46132  -219.34026   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -210.49383  -219.34026   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -210.31786  -219.34026   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -202.92325  -219.34026   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -202.95576  -219.34026   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -202.77979  -219.34026   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -204.36030  -219.34026   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -204.39281  -219.34026   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -204.21684  -219.34026   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -189.50183  -219.34026   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -189.53434  -219.34026   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -189.35837  -219.34026   79
  Found two species comparison        st          wu       2.00000     0.50000  -214.09155  -219.34026   80
  Found two species comparison        st          wuls     2.00000     0.50000  -193.80586  -219.34026   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -212.80975  -219.34026   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -212.83413  -219.34026   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -212.70215  -219.34026   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -212.37155  -219.34026   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -212.39593  -219.34026   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -212.26395  -219.34026   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -205.66431  -219.34026   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -205.69682  -219.34026   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -205.52085  -219.34026   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -198.12624  -219.34026   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -198.15875  -219.34026   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -197.98278  -219.34026   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -199.56329  -219.34026   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -199.59580  -219.34026   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -199.41983  -219.34026   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -184.70482  -219.34026   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -184.73733  -219.34026   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -184.56136  -219.34026   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -209.29454  -219.34026  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -189.00885  -219.34026  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -208.01274  -219.34026  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -208.03712  -219.34026  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -207.90514  -219.34026  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -207.57454  -219.34026  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -207.59892  -219.34026  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -207.46694  -219.34026  107
  Found one species comparison        fepv     2.00000  -204.36361  -219.34026  108
  Found one species comparison        flpv     2.00000  -178.50014  -219.34026  109
  Found one species comparison        fppv     2.00000  -199.71695  -219.34026  110
  88 fec2               2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -216.21423         7.00000      1286.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -214.40382  -216.21423    1
  Found two species comparison        fa          coes     1.00000     1.00000  -214.99302  -216.21423    2
  Found two species comparison        fa          st       1.00000     1.00000  -214.01868  -216.21423    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -211.63734  -216.21423    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -214.79004  -216.21423    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -215.37924  -216.21423    6
  Found two species comparison        fewa        st       1.00000     1.00000  -214.40490  -216.21423    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -212.02357  -216.21423    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -215.11717  -216.21423    9
  Found two species comparison        feri        coes     1.00000     1.00000  -215.70637  -216.21423   10
  Found two species comparison        feri        st       1.00000     1.00000  -214.73203  -216.21423   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -212.35070  -216.21423   12
  Found one species comparison        fs       1.00000  -216.10407  -216.21423   13
  Found one species comparison        fec2     1.00000  -216.21423  -216.21423   14
  Found one species comparison        feil     2.00000  -207.66134  -216.21423   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -208.61720  -216.21423   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -208.65210  -216.21423   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -208.47848  -216.21423   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -209.79560  -216.21423   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -209.83049  -216.21423   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -209.65687  -216.21423   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -207.84691  -216.21423   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -207.88181  -216.21423   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -207.70819  -216.21423   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -203.08425  -216.21423   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -203.11914  -216.21423   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -202.94552  -216.21423   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -208.57005  -216.21423   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -208.60495  -216.21423   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -208.43133  -216.21423   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -201.13816  -216.21423   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -201.17306  -216.21423   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -200.99944  -216.21423   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -202.56463  -216.21423   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -202.59952  -216.21423   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -202.42590  -216.21423   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -187.75221  -216.21423   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -187.78711  -216.21423   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -187.61348  -216.21423   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -212.24096  -216.21423   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -192.08982  -216.21423   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -210.89728  -216.21423   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -210.92345  -216.21423   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -210.79324  -216.21423   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -210.52199  -216.21423   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -210.54816  -216.21423   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -210.41795  -216.21423   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -209.74845  -216.21423   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -209.78335  -216.21423   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -209.60972  -216.21423   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -202.31656  -216.21423   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -202.35146  -216.21423   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -202.17783  -216.21423   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -203.74302  -216.21423   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -203.77792  -216.21423   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -203.60429  -216.21423   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -188.93060  -216.21423   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -188.96550  -216.21423   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -188.79188  -216.21423   59
  Found two species comparison        coes        wu       2.00000     0.50000  -213.41936  -216.21423   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -193.26821  -216.21423   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -212.07567  -216.21423   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -212.10185  -216.21423   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -211.97163  -216.21423   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -211.70039  -216.21423   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -211.72656  -216.21423   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -211.59634  -216.21423   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -207.79976  -216.21423   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -207.83466  -216.21423   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -207.66104  -216.21423   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -200.36787  -216.21423   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -200.40277  -216.21423   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -200.22915  -216.21423   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -201.79434  -216.21423   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -201.82923  -216.21423   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -201.65561  -216.21423   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -186.98192  -216.21423   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -187.01682  -216.21423   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -186.84319  -216.21423   79
  Found two species comparison        st          wu       2.00000     0.50000  -211.47068  -216.21423   80
  Found two species comparison        st          wuls     2.00000     0.50000  -191.31953  -216.21423   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -210.12699  -216.21423   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -210.15316  -216.21423   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -210.02295  -216.21423   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -209.75170  -216.21423   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -209.77788  -216.21423   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -209.64766  -216.21423   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -203.03710  -216.21423   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -203.07200  -216.21423   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -202.89837  -216.21423   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -195.60521  -216.21423   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -195.64011  -216.21423   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -195.46648  -216.21423   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -197.03167  -216.21423   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -197.06657  -216.21423   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -196.89295  -216.21423   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -182.21925  -216.21423   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -182.25415  -216.21423   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -182.08053  -216.21423   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -206.70801  -216.21423  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -186.55686  -216.21423  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -205.36432  -216.21423  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -205.39050  -216.21423  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -205.26028  -216.21423  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -204.98904  -216.21423  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -205.01521  -216.21423  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -204.88499  -216.21423  107
  Found one species comparison        fepv     2.00000  -201.82921  -216.21423  108
  Found one species comparison        flpv     2.00000  -175.99935  -216.21423  109
  Found one species comparison        fppv     2.00000  -197.23911  -216.21423  110
  89 fec2               2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -227.66457         7.00000      1503.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -225.95542  -227.66457    1
  Found two species comparison        fa          coes     1.00000     1.00000  -226.54147  -227.66457    2
  Found two species comparison        fa          st       1.00000     1.00000  -225.25797  -227.66457    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -222.82506  -227.66457    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -226.20254  -227.66457    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -226.78859  -227.66457    6
  Found two species comparison        fewa        st       1.00000     1.00000  -225.50509  -227.66457    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -223.07218  -227.66457    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -226.45748  -227.66457    9
  Found two species comparison        feri        coes     1.00000     1.00000  -227.04354  -227.66457   10
  Found two species comparison        feri        st       1.00000     1.00000  -225.76004  -227.66457   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -223.32712  -227.66457   12
  Found one species comparison        fs       1.00000  -227.65821  -227.66457   13
  Found one species comparison        fec2     1.00000  -227.66457  -227.66457   14
  Found one species comparison        feil     2.00000  -218.59081  -227.66457   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -219.77786  -227.66457   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -219.80585  -227.66457   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -219.60248  -227.66457   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -220.94997  -227.66457   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -220.97796  -227.66457   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -220.77459  -227.66457   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -218.38298  -227.66457   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -218.41096  -227.66457   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -218.20759  -227.66457   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -213.51714  -227.66457   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -213.54513  -227.66457   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -213.34176  -227.66457   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -219.83627  -227.66457   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -219.86425  -227.66457   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -219.66088  -227.66457   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -211.98628  -227.66457   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -212.01427  -227.66457   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -211.81090  -227.66457   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -213.66153  -227.66457   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -213.68951  -227.66457   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -213.48615  -227.66457   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -198.64240  -227.66457   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -198.67038  -227.66457   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -198.46702  -227.66457   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -223.93914  -227.66457   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -202.91187  -227.66457   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -222.40127  -227.66457   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -222.42226  -227.66457   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -222.26973  -227.66457   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -221.99851  -227.66457   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -222.01950  -227.66457   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -221.86698  -227.66457   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -221.00838  -227.66457   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -221.03636  -227.66457   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -220.83300  -227.66457   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -213.15839  -227.66457   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -213.18638  -227.66457   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -212.98301  -227.66457   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -214.83364  -227.66457   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -214.86163  -227.66457   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -214.65826  -227.66457   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -199.81451  -227.66457   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -199.84250  -227.66457   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -199.63913  -227.66457   59
  Found two species comparison        coes        wu       2.00000     0.50000  -225.11125  -227.66457   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -204.08398  -227.66457   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -223.57338  -227.66457   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -223.59437  -227.66457   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -223.44185  -227.66457   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -223.17063  -227.66457   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -223.19161  -227.66457   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -223.03909  -227.66457   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -218.44138  -227.66457   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -218.46936  -227.66457   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -218.26600  -227.66457   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -210.59140  -227.66457   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -210.61938  -227.66457   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -210.41601  -227.66457   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -212.26664  -227.66457   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -212.29463  -227.66457   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -212.09126  -227.66457   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -197.24751  -227.66457   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -197.27550  -227.66457   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -197.07213  -227.66457   79
  Found two species comparison        st          wu       2.00000     0.50000  -222.54425  -227.66457   80
  Found two species comparison        st          wuls     2.00000     0.50000  -201.51698  -227.66457   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -221.00638  -227.66457   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -221.02737  -227.66457   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -220.87485  -227.66457   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -220.60363  -227.66457   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -220.62462  -227.66457   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -220.47209  -227.66457   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -213.57555  -227.66457   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -213.60353  -227.66457   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -213.40016  -227.66457   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -205.72556  -227.66457   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -205.75355  -227.66457   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -205.55018  -227.66457   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -207.40081  -227.66457   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -207.42880  -227.66457   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -207.22543  -227.66457   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -192.38168  -227.66457   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -192.40966  -227.66457   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -192.20630  -227.66457   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -217.67842  -227.66457  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -196.65115  -227.66457  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -216.14055  -227.66457  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -216.16154  -227.66457  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -216.00902  -227.66457  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -215.73780  -227.66457  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -215.75878  -227.66457  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -215.60626  -227.66457  107
  Found one species comparison        fepv     2.00000  -213.06700  -227.66457  108
  Found one species comparison        flpv     2.00000  -187.06426  -227.66457  109
  Found one species comparison        fppv     2.00000  -208.19621  -227.66457  110
  90 fec2               2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -224.12673         7.20000      1461.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -222.32823  -224.12673    1
  Found two species comparison        fa          coes     1.00000     1.00000  -222.94046  -224.12673    2
  Found two species comparison        fa          st       1.00000     1.00000  -221.82574  -224.12673    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -219.40983  -224.12673    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -222.66292  -224.12673    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -223.27515  -224.12673    6
  Found two species comparison        fewa        st       1.00000     1.00000  -222.16042  -224.12673    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -219.74451  -224.12673    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -222.94735  -224.12673    9
  Found two species comparison        feri        coes     1.00000     1.00000  -223.55959  -224.12673   10
  Found two species comparison        feri        st       1.00000     1.00000  -222.44486  -224.12673   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -220.02895  -224.12673   12
  Found one species comparison        fs       1.00000  -224.08685  -224.12673   13
  Found one species comparison        fec2     1.00000  -224.12673  -224.12673   14
  Found one species comparison        feil     2.00000  -215.34030  -224.12673   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -216.21696  -224.12673   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -216.24751  -224.12673   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -216.04904  -224.12673   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -217.44142  -224.12673   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -217.47198  -224.12673   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -217.27350  -224.12673   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -215.21197  -224.12673   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -215.24253  -224.12673   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -215.04406  -224.12673   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -210.38015  -224.12673   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -210.41071  -224.12673   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -210.21224  -224.12673   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -216.24746  -224.12673   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -216.27802  -224.12673   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -216.07955  -224.12673   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -208.52211  -224.12673   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -208.55267  -224.12673   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -208.35419  -224.12673   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -210.14294  -224.12673   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -210.17350  -224.12673   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -209.97503  -224.12673   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -195.18195  -224.12673   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -195.21251  -224.12673   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -195.01404  -224.12673   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -220.28566  -224.12673   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -199.48221  -224.12673   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -218.75984  -224.12673   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -218.78276  -224.12673   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -218.63391  -224.12673   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -218.38617  -224.12673   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -218.40908  -224.12673   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -218.26023  -224.12673   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -217.47193  -224.12673   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -217.50248  -224.12673   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -217.30401  -224.12673   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -209.74657  -224.12673   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -209.77713  -224.12673   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -209.57866  -224.12673   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -211.36741  -224.12673   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -211.39797  -224.12673   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -211.19949  -224.12673   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -196.40641  -224.12673   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -196.43697  -224.12673   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -196.23850  -224.12673   59
  Found two species comparison        coes        wu       2.00000     0.50000  -221.51012  -224.12673   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -200.70667  -224.12673   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -219.98431  -224.12673   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -220.00723  -224.12673   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -219.85837  -224.12673   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -219.61063  -224.12673   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -219.63355  -224.12673   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -219.48469  -224.12673   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -215.24248  -224.12673   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -215.27304  -224.12673   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -215.07457  -224.12673   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -207.51713  -224.12673   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -207.54768  -224.12673   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -207.34921  -224.12673   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -209.13796  -224.12673   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -209.16852  -224.12673   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -208.97005  -224.12673   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -194.17697  -224.12673   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -194.20753  -224.12673   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -194.00906  -224.12673   79
  Found two species comparison        st          wu       2.00000     0.50000  -219.28068  -224.12673   80
  Found two species comparison        st          wuls     2.00000     0.50000  -198.47723  -224.12673   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -217.75486  -224.12673   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -217.77778  -224.12673   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -217.62893  -224.12673   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -217.38118  -224.12673   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -217.40410  -224.12673   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -217.25525  -224.12673   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -210.41066  -224.12673   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -210.44122  -224.12673   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -210.24275  -224.12673   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -202.68531  -224.12673   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -202.71586  -224.12673   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -202.51739  -224.12673   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -204.30614  -224.12673   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -204.33670  -224.12673   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -204.13823  -224.12673   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -189.34515  -224.12673   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -189.37571  -224.12673   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -189.17724  -224.12673   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -214.44886  -224.12673  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -193.64541  -224.12673  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -212.92304  -224.12673  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -212.94596  -224.12673  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -212.79711  -224.12673  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -212.54936  -224.12673  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -212.57228  -224.12673  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -212.42343  -224.12673  107
  Found one species comparison        fepv     2.00000  -209.80672  -224.12673  108
  Found one species comparison        flpv     2.00000  -183.85064  -224.12673  109
  Found one species comparison        fppv     2.00000  -205.01080  -224.12673  110
  91 fec2               2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -222.89675         7.50000      1473.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -220.99963  -222.89675    1
  Found two species comparison        fa          coes     1.00000     1.00000  -221.64753  -222.89675    2
  Found two species comparison        fa          st       1.00000     1.00000  -220.67977  -222.89675    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -218.27136  -222.89675    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -221.41758  -222.89675    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -222.06548  -222.89675    6
  Found two species comparison        fewa        st       1.00000     1.00000  -221.09772  -222.89675    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -218.68931  -222.89675    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -221.72068  -222.89675    9
  Found two species comparison        feri        coes     1.00000     1.00000  -222.36858  -222.89675   10
  Found two species comparison        feri        st       1.00000     1.00000  -221.40082  -222.89675   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -218.99241  -222.89675   12
  Found one species comparison        fs       1.00000  -222.83935  -222.89675   13
  Found one species comparison        fec2     1.00000  -222.89675  -222.89675   14
  Found one species comparison        feil     2.00000  -214.35877  -222.89675   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -214.85795  -222.89675   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -214.88933  -222.89675   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -214.68998  -222.89675   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -216.15375  -222.89675   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -216.18513  -222.89675   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -215.98578  -222.89675   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -214.21822  -222.89675   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -214.24960  -222.89675   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -214.05025  -222.89675   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -209.40141  -222.89675   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -209.43279  -222.89675   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -209.23345  -222.89675   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -214.88422  -222.89675   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -214.91560  -222.89675   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -214.71625  -222.89675   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -207.20000  -222.89675   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -207.23138  -222.89675   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -207.03203  -222.89675   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -208.82725  -222.89675   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -208.85863  -222.89675   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -208.65928  -222.89675   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -193.88232  -222.89675   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -193.91370  -222.89675   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -193.71435  -222.89675   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -218.97111  -222.89675   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -198.20007  -222.89675   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -217.39830  -222.89675   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -217.42184  -222.89675   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -217.27233  -222.89675   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -217.05999  -222.89675   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -217.08353  -222.89675   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -216.93402  -222.89675   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -216.18002  -222.89675   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -216.21140  -222.89675   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -216.01205  -222.89675   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -208.49580  -222.89675   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -208.52718  -222.89675   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -208.32783  -222.89675   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -210.12305  -222.89675   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -210.15443  -222.89675   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -209.95508  -222.89675   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -195.17812  -222.89675   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -195.20950  -222.89675   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -195.01015  -222.89675   59
  Found two species comparison        coes        wu       2.00000     0.50000  -220.26691  -222.89675   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -199.49586  -222.89675   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -218.69410  -222.89675   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -218.71764  -222.89675   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -218.56813  -222.89675   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -218.35579  -222.89675   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -218.37933  -222.89675   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -218.22982  -222.89675   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -214.24449  -222.89675   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -214.27587  -222.89675   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -214.07652  -222.89675   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -206.56027  -222.89675   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -206.59165  -222.89675   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -206.39230  -222.89675   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -208.18752  -222.89675   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -208.21890  -222.89675   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -208.01955  -222.89675   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -193.24259  -222.89675   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -193.27397  -222.89675   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -193.07462  -222.89675   79
  Found two species comparison        st          wu       2.00000     0.50000  -218.33138  -222.89675   80
  Found two species comparison        st          wuls     2.00000     0.50000  -197.56034  -222.89675   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -216.75857  -222.89675   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -216.78211  -222.89675   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -216.63260  -222.89675   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -216.42026  -222.89675   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -216.44380  -222.89675   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -216.29429  -222.89675   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -209.42768  -222.89675   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -209.45906  -222.89675   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -209.25971  -222.89675   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -201.74346  -222.89675   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -201.77484  -222.89675   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -201.57550  -222.89675   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -203.37071  -222.89675   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -203.40209  -222.89675   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -203.20274  -222.89675   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -188.42578  -222.89675   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -188.45716  -222.89675   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -188.25782  -222.89675   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -213.51457  -222.89675  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -192.74353  -222.89675  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -211.94177  -222.89675  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -211.96530  -222.89675  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -211.81579  -222.89675  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -211.60346  -222.89675  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -211.62699  -222.89675  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -211.47748  -222.89675  107
  Found one species comparison        fepv     2.00000  -208.91882  -222.89675  108
  Found one species comparison        flpv     2.00000  -182.97332  -222.89675  109
  Found one species comparison        fppv     2.00000  -204.14032  -222.89675  110
  92 fec2               2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -228.11509         7.50000      1568.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -226.26139  -228.11509    1
  Found two species comparison        fa          coes     1.00000     1.00000  -226.90701  -228.11509    2
  Found two species comparison        fa          st       1.00000     1.00000  -225.80591  -228.11509    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -223.37476  -228.11509    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -226.61963  -228.11509    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -227.26525  -228.11509    6
  Found two species comparison        fewa        st       1.00000     1.00000  -226.16415  -228.11509    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -223.73300  -228.11509    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -226.89136  -228.11509    9
  Found two species comparison        feri        coes     1.00000     1.00000  -227.53698  -228.11509   10
  Found two species comparison        feri        st       1.00000     1.00000  -226.43587  -228.11509   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -224.00473  -228.11509   12
  Found one species comparison        fs       1.00000  -228.09992  -228.11509   13
  Found one species comparison        fec2     1.00000  -228.11509  -228.11509   14
  Found one species comparison        feil     2.00000  -219.34987  -228.11509   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -219.95568  -228.11509   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -219.98288  -228.11509   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -219.77369  -228.11509   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -221.24691  -228.11509   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -221.27412  -228.11509   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -221.06492  -228.11509   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -219.04471  -228.11509   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -219.07192  -228.11509   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -218.86272  -228.11509   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -214.18241  -228.11509   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -214.20962  -228.11509   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -214.00042  -228.11509   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -220.02867  -228.11509   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -220.05588  -228.11509   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -219.84668  -228.11509   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -212.16093  -228.11509   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -212.18814  -228.11509   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -211.97894  -228.11509   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -213.89944  -228.11509   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -213.92665  -228.11509   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -213.71745  -228.11509   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -198.86456  -228.11509   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -198.89177  -228.11509   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -198.68258  -228.11509   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -224.29930  -228.11509   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -203.14489  -228.11509   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -222.64573  -228.11509   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -222.66614  -228.11509   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -222.50924  -228.11509   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -222.29697  -228.11509   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -222.31738  -228.11509   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -222.16048  -228.11509   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -221.31990  -228.11509   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -221.34711  -228.11509   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -221.13792  -228.11509   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -213.45216  -228.11509   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -213.47937  -228.11509   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -213.27018  -228.11509   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -215.19067  -228.11509   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -215.21788  -228.11509   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -215.00868  -228.11509   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -200.15580  -228.11509   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -200.18301  -228.11509   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -199.97381  -228.11509   59
  Found two species comparison        coes        wu       2.00000     0.50000  -225.59053  -228.11509   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -204.43613  -228.11509   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -223.93697  -228.11509   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -223.95737  -228.11509   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -223.80048  -228.11509   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -223.58821  -228.11509   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -223.60861  -228.11509   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -223.45172  -228.11509   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -219.11770  -228.11509   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -219.14491  -228.11509   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -218.93571  -228.11509   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -211.24996  -228.11509   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -211.27717  -228.11509   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -211.06797  -228.11509   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -212.98847  -228.11509   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -213.01568  -228.11509   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -212.80648  -228.11509   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -197.95359  -228.11509   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -197.98080  -228.11509   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -197.77161  -228.11509   79
  Found two species comparison        st          wu       2.00000     0.50000  -223.38833  -228.11509   80
  Found two species comparison        st          wuls     2.00000     0.50000  -202.23392  -228.11509   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -221.73476  -228.11509   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -221.75517  -228.11509   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -221.59827  -228.11509   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -221.38600  -228.11509   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -221.40641  -228.11509   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -221.24951  -228.11509   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -214.25540  -228.11509   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -214.28261  -228.11509   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -214.07342  -228.11509   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -206.38766  -228.11509   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -206.41487  -228.11509   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -206.20568  -228.11509   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -208.12617  -228.11509   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -208.15338  -228.11509   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -207.94418  -228.11509   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -193.09130  -228.11509   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -193.11851  -228.11509   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -192.90931  -228.11509   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -218.52603  -228.11509  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -197.37163  -228.11509  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -216.87247  -228.11509  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -216.89287  -228.11509  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -216.73598  -228.11509  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -216.52371  -228.11509  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -216.54411  -228.11509  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -216.38721  -228.11509  107
  Found one species comparison        fepv     2.00000  -214.04885  -228.11509  108
  Found one species comparison        flpv     2.00000  -188.02829  -228.11509  109
  Found one species comparison        fppv     2.00000  -209.15083  -228.11509  110
  93 fec2               2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -197.41434         8.30000      1063.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -195.03753  -197.41434    1
  Found two species comparison        fa          coes     1.00000     1.00000  -195.74361  -197.41434    2
  Found two species comparison        fa          st       1.00000     1.00000  -195.81500  -197.41434    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -193.52879  -197.41434    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -195.96010  -197.41434    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -196.66618  -197.41434    6
  Found two species comparison        fewa        st       1.00000     1.00000  -196.73756  -197.41434    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -194.45136  -197.41434    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -196.44628  -197.41434    9
  Found two species comparison        feri        coes     1.00000     1.00000  -197.15236  -197.41434   10
  Found two species comparison        feri        st       1.00000     1.00000  -197.22374  -197.41434   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -194.93754  -197.41434   12
  Found one species comparison        fs       1.00000  -197.02505  -197.41434   13
  Found one species comparison        fec2     1.00000  -197.41434  -197.41434   14
  Found one species comparison        feil     2.00000  -190.54394  -197.41434   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -189.67145  -197.41434   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -189.70846  -197.41434   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -189.59017  -197.41434   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -191.08361  -197.41434   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -191.12061  -197.41434   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -191.00232  -197.41434   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -191.22637  -197.41434   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -191.26338  -197.41434   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -191.14509  -197.41434   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -186.65396  -197.41434   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -186.69097  -197.41434   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -186.57268  -197.41434   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -189.49419  -197.41434   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -189.53120  -197.41434   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -189.41291  -197.41434   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -182.74548  -197.41434   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -182.78249  -197.41434   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -182.66420  -197.41434   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -183.91236  -197.41434   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -183.94936  -197.41434   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -183.83107  -197.41434   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -169.43409  -197.41434   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -169.47109  -197.41434   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -169.35281  -197.41434   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -192.78510  -197.41434   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -173.87288  -197.41434   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -191.50254  -197.41434   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -191.53029  -197.41434   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -191.44158  -197.41434   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -191.33479  -197.41434   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -191.36254  -197.41434   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -191.27383  -197.41434   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -190.90635  -197.41434   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -190.94335  -197.41434   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -190.82506  -197.41434   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -184.15764  -197.41434   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -184.19464  -197.41434   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -184.07635  -197.41434   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -185.32451  -197.41434   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -185.36152  -197.41434   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -185.24323  -197.41434   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -170.84624  -197.41434   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -170.88325  -197.41434   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -170.76496  -197.41434   59
  Found two species comparison        coes        wu       2.00000     0.50000  -194.19726  -197.41434   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -175.28503  -197.41434   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -192.91469  -197.41434   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -192.94245  -197.41434   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -192.85373  -197.41434   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -192.74694  -197.41434   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -192.77470  -197.41434   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -192.68598  -197.41434   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -191.04912  -197.41434   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -191.08612  -197.41434   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -190.96783  -197.41434   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -184.30040  -197.41434   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -184.33741  -197.41434   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -184.21912  -197.41434   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -185.46728  -197.41434   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -185.50429  -197.41434   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -185.38600  -197.41434   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -170.98901  -197.41434   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -171.02602  -197.41434   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -170.90773  -197.41434   79
  Found two species comparison        st          wu       2.00000     0.50000  -194.34002  -197.41434   80
  Found two species comparison        st          wuls     2.00000     0.50000  -175.42780  -197.41434   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -193.05746  -197.41434   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -193.08522  -197.41434   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -192.99650  -197.41434   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -192.88971  -197.41434   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -192.91747  -197.41434   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -192.82875  -197.41434   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -186.47670  -197.41434   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -186.51371  -197.41434   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -186.39542  -197.41434   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -179.72799  -197.41434   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -179.76500  -197.41434   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -179.64671  -197.41434   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -180.89487  -197.41434   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -180.93187  -197.41434   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -180.81359  -197.41434   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -166.41660  -197.41434   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -166.45361  -197.41434   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -166.33532  -197.41434   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -189.76761  -197.41434  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -170.85539  -197.41434  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -188.48505  -197.41434  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -188.51280  -197.41434  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -188.42409  -197.41434  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -188.31730  -197.41434  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -188.34505  -197.41434  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -188.25634  -197.41434  107
  Found one species comparison        fepv     2.00000  -184.74506  -197.41434  108
  Found one species comparison        flpv     2.00000  -159.18358  -197.41434  109
  Found one species comparison        fppv     2.00000  -180.60928  -197.41434  110
  94 fec2               2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -204.40049         8.80000      1273.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -201.96627  -204.40049    1
  Found two species comparison        fa          coes     1.00000     1.00000  -202.74240  -204.40049    2
  Found two species comparison        fa          st       1.00000     1.00000  -202.76727  -204.40049    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -200.44990  -204.40049    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -202.89863  -204.40049    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -203.67476  -204.40049    6
  Found two species comparison        fewa        st       1.00000     1.00000  -203.69963  -204.40049    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -201.38226  -204.40049    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -203.35489  -204.40049    9
  Found two species comparison        feri        coes     1.00000     1.00000  -204.13102  -204.40049   10
  Found two species comparison        feri        st       1.00000     1.00000  -204.15589  -204.40049   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -201.83852  -204.40049   12
  Found one species comparison        fs       1.00000  -204.11724  -204.40049   13
  Found one species comparison        fec2     1.00000  -204.40049  -204.40049   14
  Found one species comparison        feil     2.00000  -197.49849  -204.40049   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -196.16826  -204.40049   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -196.21206  -204.40049   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -196.05041  -204.40049   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -197.72053  -204.40049   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -197.76433  -204.40049   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -197.60268  -204.40049   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -197.77027  -204.40049   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -197.81407  -204.40049   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -197.65242  -204.40049   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -193.13552  -204.40049   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -193.17932  -204.40049   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -193.01767  -204.40049   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -196.06756  -204.40049   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -196.11136  -204.40049   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -195.94971  -204.40049   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -189.03046  -204.40049   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -189.07427  -204.40049   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -188.91262  -204.40049   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -190.40962  -204.40049   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -190.45343  -204.40049   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -190.29178  -204.40049   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -175.77465  -204.40049   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -175.81845  -204.40049   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -175.65680  -204.40049   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -199.85268  -204.40049   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -180.22978  -204.40049   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -198.29532  -204.40049   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -198.32817  -204.40049   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -198.20694  -204.40049   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -198.14983  -204.40049   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -198.18268  -204.40049   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -198.06144  -204.40049   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -197.61982  -204.40049   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -197.66363  -204.40049   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -197.50198  -204.40049   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -190.58273  -204.40049   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -190.62653  -204.40049   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -190.46489  -204.40049   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -191.96189  -204.40049   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -192.00569  -204.40049   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -191.84404  -204.40049   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -177.32692  -204.40049   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -177.37072  -204.40049   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -177.20907  -204.40049   59
  Found two species comparison        coes        wu       2.00000     0.50000  -201.40494  -204.40049   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -181.78204  -204.40049   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -199.84759  -204.40049   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -199.88044  -204.40049   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -199.75920  -204.40049   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -199.70209  -204.40049   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -199.73494  -204.40049   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -199.61371  -204.40049   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -197.66957  -204.40049   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -197.71337  -204.40049   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -197.55172  -204.40049   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -190.63247  -204.40049   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -190.67628  -204.40049   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -190.51463  -204.40049   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -192.01163  -204.40049   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -192.05543  -204.40049   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -191.89378  -204.40049   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -177.37666  -204.40049   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -177.42046  -204.40049   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -177.25881  -204.40049   79
  Found two species comparison        st          wu       2.00000     0.50000  -201.45468  -204.40049   80
  Found two species comparison        st          wuls     2.00000     0.50000  -181.83178  -204.40049   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -199.89733  -204.40049   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -199.93018  -204.40049   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -199.80894  -204.40049   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -199.75183  -204.40049   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -199.78468  -204.40049   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -199.66345  -204.40049   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -193.03482  -204.40049   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -193.07862  -204.40049   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -192.91697  -204.40049   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -185.99772  -204.40049   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -186.04153  -204.40049   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -185.87988  -204.40049   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -187.37688  -204.40049   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -187.42069  -204.40049   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -187.25904  -204.40049   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -172.74191  -204.40049   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -172.78571  -204.40049   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -172.62406  -204.40049   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -196.81994  -204.40049  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -177.19704  -204.40049  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -195.26258  -204.40049  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -195.29543  -204.40049  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -195.17420  -204.40049  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -195.11708  -204.40049  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -195.14994  -204.40049  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -195.02870  -204.40049  107
  Found one species comparison        fepv     2.00000  -192.10258  -204.40049  108
  Found one species comparison        flpv     2.00000  -166.40375  -204.40049  109
  Found one species comparison        fppv     2.00000  -187.73213  -204.40049  110
  95 fec2               2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -211.63070         9.40000      1483.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -209.10711  -211.63070    1
  Found two species comparison        fa          coes     1.00000     1.00000  -209.95883  -211.63070    2
  Found two species comparison        fa          st       1.00000     1.00000  -209.99144  -211.63070    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -207.64551  -211.63070    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -210.08067  -211.63070    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -210.93239  -211.63070    6
  Found two species comparison        fewa        st       1.00000     1.00000  -210.96500  -211.63070    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -208.61907  -211.63070    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -210.51368  -211.63070    9
  Found two species comparison        feri        coes     1.00000     1.00000  -211.36541  -211.63070   10
  Found two species comparison        feri        st       1.00000     1.00000  -211.39801  -211.63070   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -209.05208  -211.63070   12
  Found one species comparison        fs       1.00000  -211.43930  -211.63070   13
  Found one species comparison        fec2     1.00000  -211.63070  -211.63070   14
  Found one species comparison        feil     2.00000  -204.78389  -211.63070   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -202.90844  -211.63070   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -202.94772  -211.63070   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -202.75153  -211.63070   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -204.61189  -211.63070   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -204.65116  -211.63070   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -204.45498  -211.63070   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -204.67711  -211.63070   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -204.71638  -211.63070   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -204.52020  -211.63070   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -199.98524  -211.63070   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -200.02452  -211.63070   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -199.82833  -211.63070   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -202.88421  -211.63070   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -202.92349  -211.63070   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -202.72730  -211.63070   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -195.57668  -211.63070   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -195.61595  -211.63070   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -195.41977  -211.63070   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -197.17253  -211.63070   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -197.21181  -211.63070   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -197.01562  -211.63070   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -182.39118  -211.63070   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -182.43046  -211.63070   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -182.23427  -211.63070   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -207.14573  -211.63070   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -186.83834  -211.63070   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -205.32998  -211.63070   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -205.35943  -211.63070   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -205.21229  -211.63070   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -205.22392  -211.63070   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -205.25338  -211.63070   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -205.10624  -211.63070   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -204.58766  -211.63070   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -204.62693  -211.63070   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -204.43075  -211.63070   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -197.28012  -211.63070   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -197.31940  -211.63070   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -197.12321  -211.63070   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -198.87598  -211.63070   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -198.91526  -211.63070   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -198.71907  -211.63070   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -184.09463  -211.63070   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -184.13391  -211.63070   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -183.93772  -211.63070   59
  Found two species comparison        coes        wu       2.00000     0.50000  -208.84918  -211.63070   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -188.54179  -211.63070   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -207.03342  -211.63070   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -207.06288  -211.63070   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -206.91574  -211.63070   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -206.92737  -211.63070   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -206.95683  -211.63070   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -206.80969  -211.63070   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -204.65288  -211.63070   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -204.69215  -211.63070   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -204.49597  -211.63070   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -197.34534  -211.63070   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -197.38462  -211.63070   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -197.18843  -211.63070   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -198.94120  -211.63070   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -198.98047  -211.63070   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -198.78429  -211.63070   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -184.15985  -211.63070   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -184.19912  -211.63070   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -184.00294  -211.63070   79
  Found two species comparison        st          wu       2.00000     0.50000  -208.91439  -211.63070   80
  Found two species comparison        st          wuls     2.00000     0.50000  -188.60700  -211.63070   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -207.09864  -211.63070   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -207.12810  -211.63070   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -206.98096  -211.63070   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -206.99259  -211.63070   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -207.02204  -211.63070   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -206.87490  -211.63070   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -199.96101  -211.63070   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -200.00029  -211.63070   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -199.80410  -211.63070   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -192.65348  -211.63070   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -192.69276  -211.63070   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -192.49657  -211.63070   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -194.24933  -211.63070   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -194.28861  -211.63070   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -194.09242  -211.63070   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -179.46799  -211.63070   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -179.50726  -211.63070   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -179.31107  -211.63070   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -204.22253  -211.63070  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -183.91514  -211.63070  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -202.40678  -211.63070  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -202.43623  -211.63070  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -202.28909  -211.63070  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -202.30072  -211.63070  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -202.33018  -211.63070  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -202.18304  -211.63070  107
  Found one species comparison        fepv     2.00000  -199.82864  -211.63070  108
  Found one species comparison        flpv     2.00000  -174.00204  -211.63070  109
  Found one species comparison        fppv     2.00000  -195.24276  -211.63070  110
  96 ferist             2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -191.20057         9.40000      1063.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -187.93740  -191.20057    1
  Found two species comparison        fa          coes     1.00000     1.00000  -188.73804  -191.20057    2
  Found two species comparison        fa          st       1.00000     1.00000  -189.40164  -191.20057    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -187.15171  -191.20057    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -189.18223  -191.20057    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -189.98286  -191.20057    6
  Found two species comparison        fewa        st       1.00000     1.00000  -190.64646  -191.20057    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -188.39654  -191.20057    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -189.73634  -191.20057    9
  Found two species comparison        feri        coes     1.00000     1.00000  -190.53697  -191.20057   10
  Found two species comparison        feri        st       1.00000     1.00000  -191.20057  -191.20057   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -188.95065  -191.20057   12
  Found one species comparison        fs       1.00000  -190.17567  -191.20057   13
  Found one species comparison        fec2     1.00000  -190.68359  -191.20057   14
  Found one species comparison        feil     2.00000  -184.76930  -191.20057   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -182.56442  -191.20057   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -182.60722  -191.20057   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -182.49818  -191.20057   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -184.16568  -191.20057   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -184.20848  -191.20057   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -184.09944  -191.20057   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -185.49288  -191.20057   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -185.53568  -191.20057   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -185.42664  -191.20057   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -180.99303  -191.20057   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -181.03582  -191.20057   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -180.92679  -191.20057   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -182.36802  -191.20057   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -182.41081  -191.20057   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -182.30178  -191.20057   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -175.83396  -191.20057   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -175.87675  -191.20057   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -175.76772  -191.20057   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -176.98792  -191.20057   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -177.03072  -191.20057   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -176.92168  -191.20057   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -162.61028  -191.20057   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -162.65308  -191.20057   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -162.54404  -191.20057   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -185.73809  -191.20057   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -167.10966  -191.20057   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -184.31302  -191.20057   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -184.34511  -191.20057   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -184.26334  -191.20057   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -184.28918  -191.20057   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -184.32128  -191.20057   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -184.23950  -191.20057   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -183.96928  -191.20057   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -184.01208  -191.20057   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -183.90304  -191.20057   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -177.43522  -191.20057   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -177.47802  -191.20057   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -177.36898  -191.20057   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -178.58918  -191.20057   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -178.63198  -191.20057   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -178.52295  -191.20057   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -164.21154  -191.20057   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -164.25434  -191.20057   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -164.14530  -191.20057   59
  Found two species comparison        coes        wu       2.00000     0.50000  -187.33936  -191.20057   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -168.71092  -191.20057   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -185.91428  -191.20057   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -185.94638  -191.20057   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -185.86460  -191.20057   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -185.89044  -191.20057   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -185.92254  -191.20057   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -185.84076  -191.20057   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -185.29648  -191.20057   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -185.33928  -191.20057   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -185.23024  -191.20057   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -178.76242  -191.20057   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -178.80522  -191.20057   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -178.69618  -191.20057   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -179.91638  -191.20057   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -179.95918  -191.20057   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -179.85015  -191.20057   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -165.53874  -191.20057   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -165.58154  -191.20057   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -165.47250  -191.20057   79
  Found two species comparison        st          wu       2.00000     0.50000  -188.66656  -191.20057   80
  Found two species comparison        st          wuls     2.00000     0.50000  -170.03812  -191.20057   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -187.24148  -191.20057   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -187.27358  -191.20057   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -187.19180  -191.20057   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -187.21764  -191.20057   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -187.24974  -191.20057   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -187.16796  -191.20057   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -180.79663  -191.20057   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -180.83942  -191.20057   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -180.73039  -191.20057   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -174.26256  -191.20057   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -174.30536  -191.20057   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -174.19632  -191.20057   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -175.41653  -191.20057   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -175.45933  -191.20057   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -175.35029  -191.20057   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -161.03889  -191.20057   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -161.08168  -191.20057   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -160.97265  -191.20057   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -184.16670  -191.20057  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -165.53827  -191.20057  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -182.74162  -191.20057  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -182.77372  -191.20057  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -182.69194  -191.20057  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -182.71779  -191.20057  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -182.74988  -191.20057  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -182.66811  -191.20057  107
  Found one species comparison        fepv     2.00000  -179.24463  -191.20057  108
  Found one species comparison        flpv     2.00000  -153.75678  -191.20057  109
  Found one species comparison        fppv     2.00000  -175.23495  -191.20057  110
  97 ferist             2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -200.85800         9.40000      1273.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -198.08137  -200.85800    1
  Found two species comparison        fa          coes     1.00000     1.00000  -198.91248  -200.85800    2
  Found two species comparison        fa          st       1.00000     1.00000  -199.25625  -200.85800    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -196.95889  -200.85800    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -199.18866  -200.85800    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -200.01977  -200.85800    6
  Found two species comparison        fewa        st       1.00000     1.00000  -200.36353  -200.85800    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -198.06618  -200.85800    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -199.68312  -200.85800    9
  Found two species comparison        feri        coes     1.00000     1.00000  -200.51423  -200.85800   10
  Found two species comparison        feri        st       1.00000     1.00000  -200.85800  -200.85800   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -198.56064  -200.85800   12
  Found one species comparison        fs       1.00000  -200.37536  -200.85800   13
  Found one species comparison        fec2     1.00000  -200.71247  -200.85800   14
  Found one species comparison        feil     2.00000  -194.33684  -200.85800   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -192.27779  -200.85800   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -192.32452  -200.85800   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -192.16640  -200.85800   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -193.94002  -200.85800   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -193.98674  -200.85800   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -193.82863  -200.85800   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -194.62754  -200.85800   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -194.67427  -200.85800   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -194.51616  -200.85800   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -190.03283  -200.85800   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -190.07955  -200.85800   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -189.92144  -200.85800   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -192.16431  -200.85800   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -192.21103  -200.85800   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -192.05292  -200.85800   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -185.24671  -200.85800   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -185.29344  -200.85800   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -185.13533  -200.85800   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -186.61643  -200.85800   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -186.66315  -200.85800   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -186.50504  -200.85800   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -172.03616  -200.85800   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -172.08288  -200.85800   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -171.92477  -200.85800   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -195.99478  -200.85800   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -176.52778  -200.85800   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -194.36116  -200.85800   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -194.39621  -200.85800   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -194.27762  -200.85800   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -194.29196  -200.85800   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -194.32700  -200.85800   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -194.20842  -200.85800   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -193.82653  -200.85800   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -193.87325  -200.85800   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -193.71514  -200.85800   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -186.90894  -200.85800   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -186.95566  -200.85800   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -186.79755  -200.85800   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -188.27865  -200.85800   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -188.32537  -200.85800   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -188.16726  -200.85800   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -173.69838  -200.85800   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -173.74510  -200.85800   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -173.58699  -200.85800   59
  Found two species comparison        coes        wu       2.00000     0.50000  -197.65700  -200.85800   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -178.19000  -200.85800   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -196.02339  -200.85800   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -196.05843  -200.85800   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -195.93984  -200.85800   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -195.95418  -200.85800   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -195.98922  -200.85800   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -195.87064  -200.85800   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -194.51406  -200.85800   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -194.56078  -200.85800   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -194.40267  -200.85800   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -187.59647  -200.85800   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -187.64319  -200.85800   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -187.48508  -200.85800   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -188.96618  -200.85800   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -189.01290  -200.85800   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -188.85479  -200.85800   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -174.38591  -200.85800   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -174.43263  -200.85800   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -174.27452  -200.85800   79
  Found two species comparison        st          wu       2.00000     0.50000  -198.34453  -200.85800   80
  Found two species comparison        st          wuls     2.00000     0.50000  -178.87753  -200.85800   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -196.71092  -200.85800   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -196.74596  -200.85800   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -196.62737  -200.85800   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -196.64171  -200.85800   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -196.67675  -200.85800   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -196.55817  -200.85800   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -189.91934  -200.85800   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -189.96606  -200.85800   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -189.80795  -200.85800   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -183.00175  -200.85800   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -183.04847  -200.85800   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -182.89036  -200.85800   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -184.37146  -200.85800   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -184.41818  -200.85800   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -184.26007  -200.85800   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -169.79119  -200.85800   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -169.83791  -200.85800   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -169.67980  -200.85800   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -193.74981  -200.85800  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -174.28282  -200.85800  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -192.11620  -200.85800  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -192.15124  -200.85800  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -192.03265  -200.85800  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -192.04699  -200.85800  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -192.08203  -200.85800  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -191.96345  -200.85800  107
  Found one species comparison        fepv     2.00000  -189.08832  -200.85800  108
  Found one species comparison        flpv     2.00000  -163.42953  -200.85800  109
  Found one species comparison        fppv     2.00000  -184.78472  -200.85800  110
  98 ferist             2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -206.10202         9.80000      1423.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -203.28528  -206.10202    1
  Found two species comparison        fa          coes     1.00000     1.00000  -204.16931  -206.10202    2
  Found two species comparison        fa          st       1.00000     1.00000  -204.49899  -206.10202    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -202.18044  -206.10202    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -204.41212  -206.10202    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -205.29615  -206.10202    6
  Found two species comparison        fewa        st       1.00000     1.00000  -205.62583  -206.10202    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -203.30729  -206.10202    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -204.88831  -206.10202    9
  Found two species comparison        feri        coes     1.00000     1.00000  -205.77234  -206.10202   10
  Found two species comparison        feri        st       1.00000     1.00000  -206.10202  -206.10202   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -203.78348  -206.10202   12
  Found one species comparison        fs       1.00000  -205.70558  -206.10202   13
  Found one species comparison        fec2     1.00000  -205.96644  -206.10202   14
  Found one species comparison        feil     2.00000  -199.60606  -206.10202   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -197.19270  -206.10202   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -197.23645  -206.10202   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -197.05146  -206.10202   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -198.96076  -206.10202   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -199.00451  -206.10202   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -198.81952  -206.10202   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -199.62012  -206.10202   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -199.66388  -206.10202   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -199.47889  -206.10202   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -194.98303  -206.10202   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -195.02679  -206.10202   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -194.84179  -206.10202   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -197.13321  -206.10202   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -197.17697  -206.10202   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -196.99198  -206.10202   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -190.01792  -206.10202   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -190.06168  -206.10202   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -189.87668  -206.10202   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -191.54070  -206.10202   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -191.58445  -206.10202   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -191.39946  -206.10202   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -176.85292  -206.10202   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -176.89667  -206.10202   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -176.71168  -206.10202   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -201.30507  -206.10202   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -181.34197  -206.10202   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -199.48947  -206.10202   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -199.52228  -206.10202   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -199.38354  -206.10202   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -199.44289  -206.10202   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -199.47571  -206.10202   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -199.33696  -206.10202   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -198.90127  -206.10202   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -198.94503  -206.10202   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -198.76003  -206.10202   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -191.78598  -206.10202   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -191.82973  -206.10202   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -191.64474  -206.10202   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -193.30875  -206.10202   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -193.35251  -206.10202   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -193.16752  -206.10202   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -178.62097  -206.10202   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -178.66473  -206.10202   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -178.47974  -206.10202   59
  Found two species comparison        coes        wu       2.00000     0.50000  -203.07313  -206.10202   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -183.11003  -206.10202   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -201.25752  -206.10202   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -201.29034  -206.10202   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -201.15160  -206.10202   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -201.21095  -206.10202   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -201.24376  -206.10202   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -201.10502  -206.10202   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -199.56064  -206.10202   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -199.60439  -206.10202   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -199.41940  -206.10202   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -192.44534  -206.10202   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -192.48910  -206.10202   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -192.30411  -206.10202   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -193.96812  -206.10202   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -194.01187  -206.10202   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -193.82688  -206.10202   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -179.28034  -206.10202   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -179.32409  -206.10202   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -179.13910  -206.10202   79
  Found two species comparison        st          wu       2.00000     0.50000  -203.73250  -206.10202   80
  Found two species comparison        st          wuls     2.00000     0.50000  -183.76939  -206.10202   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -201.91689  -206.10202   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -201.94971  -206.10202   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -201.81096  -206.10202   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -201.87031  -206.10202   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -201.90313  -206.10202   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -201.76438  -206.10202   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -194.92354  -206.10202   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -194.96730  -206.10202   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -194.78231  -206.10202   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -187.80825  -206.10202   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -187.85201  -206.10202   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -187.66702  -206.10202   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -189.33103  -206.10202   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -189.37478  -206.10202   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -189.18979  -206.10202   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -174.64325  -206.10202   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -174.68700  -206.10202   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -174.50201  -206.10202   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -199.09540  -206.10202  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -179.13230  -206.10202  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -197.27980  -206.10202  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -197.31261  -206.10202  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -197.17387  -206.10202  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -197.23322  -206.10202  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -197.26604  -206.10202  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -197.12729  -206.10202  107
  Found one species comparison        fepv     2.00000  -194.66188  -206.10202  108
  Found one species comparison        flpv     2.00000  -168.90958  -206.10202  109
  Found one species comparison        fppv     2.00000  -190.19870  -206.10202  110
  99 wust               2.00   0.00   4.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    3    2      -130.68022        19.80000      1473.00000
  Found one species comparison        fa       2.00000  -123.00646  -130.68022    1
  Found one species comparison        fewa     2.00000  -128.35823  -130.68022    2
  Found one species comparison        feri     2.00000  -129.63745  -130.68022    3
Found three species comparison        fs          hem         fea      1.00000     0.66667     0.66667  -121.87976  -130.68022    4
Found three species comparison        fs          hem         feg      1.00000     0.66667     0.66667  -121.94225  -130.68022    5
Found three species comparison        fs          hem         fee      1.00000     0.66667     0.66667  -121.84330  -130.68022    6
Found three species comparison        fs          hepv        fea      1.00000     0.66667     0.66667  -121.81220  -130.68022    7
Found three species comparison        fs          hepv        feg      1.00000     0.66667     0.66667  -121.87469  -130.68022    8
Found three species comparison        fs          hepv        fee      1.00000     0.66667     0.66667  -121.77574  -130.68022    9
Found three species comparison        fs          hlpv        fea      1.00000     0.66667     0.66667  -117.93637  -130.68022   10
Found three species comparison        fs          hlpv        feg      1.00000     0.66667     0.66667  -117.99886  -130.68022   11
Found three species comparison        fs          hlpv        fee      1.00000     0.66667     0.66667  -117.89991  -130.68022   12
Found three species comparison        fs          hppv        fea      1.00000     0.66667     0.66667  -118.99246  -130.68022   13
Found three species comparison        fs          hppv        feg      1.00000     0.66667     0.66667  -119.05496  -130.68022   14
Found three species comparison        fs          hppv        fee      1.00000     0.66667     0.66667  -118.95600  -130.68022   15
Found three species comparison        fs          lppv        fea      1.00000     0.66667     0.66667  -109.10163  -130.68022   16
Found three species comparison        fs          lppv        feg      1.00000     0.66667     0.66667  -109.16412  -130.68022   17
Found three species comparison        fs          lppv        fee      1.00000     0.66667     0.66667  -109.06517  -130.68022   18
  Found two species comparison        fs          wu       1.00000     0.50000  -125.35682  -130.68022   19
  Found two species comparison        fs          wuls     1.00000     0.50000  -112.69597  -130.68022   20
Found three species comparison        fs          mag         fea      1.00000     0.50000     0.50000  -123.08742  -130.68022   21
Found three species comparison        fs          mag         feg      1.00000     0.50000     0.50000  -123.13429  -130.68022   22
Found three species comparison        fs          mag         fee      1.00000     0.50000     0.50000  -123.06007  -130.68022   23
Found three species comparison        fs          hmag        fea      1.00000     0.50000     0.50000  -123.95348  -130.68022   24
Found three species comparison        fs          hmag        feg      1.00000     0.50000     0.50000  -124.00035  -130.68022   25
Found three species comparison        fs          hmag        fee      1.00000     0.50000     0.50000  -123.92613  -130.68022   26
Found three species comparison        fec2        hem         fea      1.00000     0.66667     0.66667  -122.54743  -130.68022   27
Found three species comparison        fec2        hem         feg      1.00000     0.66667     0.66667  -122.60993  -130.68022   28
Found three species comparison        fec2        hem         fee      1.00000     0.66667     0.66667  -122.51097  -130.68022   29
Found three species comparison        fec2        hepv        fea      1.00000     0.66667     0.66667  -122.47987  -130.68022   30
Found three species comparison        fec2        hepv        feg      1.00000     0.66667     0.66667  -122.54237  -130.68022   31
Found three species comparison        fec2        hepv        fee      1.00000     0.66667     0.66667  -122.44341  -130.68022   32
Found three species comparison        fec2        hlpv        fea      1.00000     0.66667     0.66667  -118.60404  -130.68022   33
Found three species comparison        fec2        hlpv        feg      1.00000     0.66667     0.66667  -118.66654  -130.68022   34
Found three species comparison        fec2        hlpv        fee      1.00000     0.66667     0.66667  -118.56758  -130.68022   35
Found three species comparison        fec2        hppv        fea      1.00000     0.66667     0.66667  -119.66014  -130.68022   36
Found three species comparison        fec2        hppv        feg      1.00000     0.66667     0.66667  -119.72263  -130.68022   37
Found three species comparison        fec2        hppv        fee      1.00000     0.66667     0.66667  -119.62368  -130.68022   38
Found three species comparison        fec2        lppv        fea      1.00000     0.66667     0.66667  -109.76931  -130.68022   39
Found three species comparison        fec2        lppv        feg      1.00000     0.66667     0.66667  -109.83180  -130.68022   40
Found three species comparison        fec2        lppv        fee      1.00000     0.66667     0.66667  -109.73284  -130.68022   41
  Found two species comparison        fec2        wu       1.00000     0.50000  -126.02449  -130.68022   42
  Found two species comparison        fec2        wuls     1.00000     0.50000  -113.36365  -130.68022   43
Found three species comparison        fec2        mag         fea      1.00000     0.50000     0.50000  -123.75510  -130.68022   44
Found three species comparison        fec2        mag         feg      1.00000     0.50000     0.50000  -123.80197  -130.68022   45
Found three species comparison        fec2        mag         fee      1.00000     0.50000     0.50000  -123.72775  -130.68022   46
Found three species comparison        fec2        hmag        fea      1.00000     0.50000     0.50000  -124.62115  -130.68022   47
Found three species comparison        fec2        hmag        feg      1.00000     0.50000     0.50000  -124.66802  -130.68022   48
Found three species comparison        fec2        hmag        fee      1.00000     0.50000     0.50000  -124.59381  -130.68022   49
Found three species comparison        feil        hem         fea      2.00000     0.66667     0.66667  -126.28559  -130.68022   50
Found three species comparison        feil        hem         feg      2.00000     0.66667     0.66667  -126.34808  -130.68022   51
Found three species comparison        feil        hem         fee      2.00000     0.66667     0.66667  -126.24913  -130.68022   52
Found three species comparison        feil        hepv        fea      2.00000     0.66667     0.66667  -123.59439  -130.68022   53
Found three species comparison        feil        hepv        feg      2.00000     0.66667     0.66667  -123.65689  -130.68022   54
Found three species comparison        feil        hepv        fee      2.00000     0.66667     0.66667  -123.55793  -130.68022   55
Found three species comparison        feil        hlpv        fea      2.00000     0.66667     0.66667  -119.71856  -130.68022   56
Found three species comparison        feil        hlpv        feg      2.00000     0.66667     0.66667  -119.78106  -130.68022   57
Found three species comparison        feil        hlpv        fee      2.00000     0.66667     0.66667  -119.68210  -130.68022   58
Found three species comparison        feil        hppv        fea      2.00000     0.66667     0.66667  -120.77466  -130.68022   59
Found three species comparison        feil        hppv        feg      2.00000     0.66667     0.66667  -120.83715  -130.68022   60
Found three species comparison        feil        hppv        fee      2.00000     0.66667     0.66667  -120.73820  -130.68022   61
Found three species comparison        feil        lppv        fea      2.00000     0.66667     0.66667  -110.88382  -130.68022   62
Found three species comparison        feil        lppv        feg      2.00000     0.66667     0.66667  -110.94632  -130.68022   63
Found three species comparison        feil        lppv        fee      2.00000     0.66667     0.66667  -110.84736  -130.68022   64
  Found two species comparison        feil        wu       2.00000     0.50000  -127.13901  -130.68022   65
  Found two species comparison        feil        wuls     2.00000     0.50000  -114.47817  -130.68022   66
Found three species comparison        feil        mag         fea      2.00000     0.50000     0.50000  -124.86961  -130.68022   67
Found three species comparison        feil        mag         feg      2.00000     0.50000     0.50000  -124.91648  -130.68022   68
Found three species comparison        feil        mag         fee      2.00000     0.50000     0.50000  -124.84227  -130.68022   69
Found three species comparison        feil        hmag        fea      2.00000     0.50000     0.50000  -125.73567  -130.68022   70
Found three species comparison        feil        hmag        feg      2.00000     0.50000     0.50000  -125.78254  -130.68022   71
Found three species comparison        feil        hmag        fee      2.00000     0.50000     0.50000  -125.70833  -130.68022   72
Found three species comparison        hem         qtz         fea      1.33333     2.00000     1.33333  -114.48331  -130.68022   73
Found three species comparison        hem         qtz         feg      1.33333     2.00000     1.33333  -114.60829  -130.68022   74
Found three species comparison        hem         qtz         fee      1.33333     2.00000     1.33333  -114.41038  -130.68022   75
Found three species comparison        hem         coes        fea      1.33333     2.00000     1.33333  -116.60477  -130.68022   76
Found three species comparison        hem         coes        feg      1.33333     2.00000     1.33333  -116.72975  -130.68022   77
Found three species comparison        hem         coes        fee      1.33333     2.00000     1.33333  -116.53184  -130.68022   78
Found three species comparison        hem         st          fea      1.33333     2.00000     1.33333  -123.72610  -130.68022   79
Found three species comparison        hem         st          feg      1.33333     2.00000     1.33333  -123.85108  -130.68022   80
Found three species comparison        hem         st          fee      1.33333     2.00000     1.33333  -123.65317  -130.68022   81
Found three species comparison        hem         apbo        fea      1.33333     2.00000     1.33333  -120.85045  -130.68022   82
Found three species comparison        hem         apbo        feg      1.33333     2.00000     1.33333  -120.97543  -130.68022   83
Found three species comparison        hem         apbo        fee      1.33333     2.00000     1.33333  -120.77753  -130.68022   84
Found three species comparison        hem         fepv        fea      0.66667     2.00000     0.66667  -121.73461  -130.68022   85
Found three species comparison        hem         fepv        feg      0.66667     2.00000     0.66667  -121.79710  -130.68022   86
Found three species comparison        hem         fepv        fee      0.66667     2.00000     0.66667  -121.69815  -130.68022   87
Found three species comparison        hem         flpv        fea      0.66667     2.00000     0.66667  -103.77955  -130.68022   88
Found three species comparison        hem         flpv        feg      0.66667     2.00000     0.66667  -103.84204  -130.68022   89
Found three species comparison        hem         flpv        fee      0.66667     2.00000     0.66667  -103.74308  -130.68022   90
Found three species comparison        hem         fppv        fea      0.66667     2.00000     0.66667  -119.24591  -130.68022   91
Found three species comparison        hem         fppv        feg      0.66667     2.00000     0.66667  -119.30840  -130.68022   92
Found three species comparison        hem         fppv        fee      0.66667     2.00000     0.66667  -119.20945  -130.68022   93
Found three species comparison        qtz         hepv        fea      2.00000     1.33333     1.33333  -114.34819  -130.68022   94
Found three species comparison        qtz         hepv        feg      2.00000     1.33333     1.33333  -114.47317  -130.68022   95
Found three species comparison        qtz         hepv        fee      2.00000     1.33333     1.33333  -114.27526  -130.68022   96
Found three species comparison        qtz         hlpv        fea      2.00000     1.33333     1.33333  -106.59653  -130.68022   97
Found three species comparison        qtz         hlpv        feg      2.00000     1.33333     1.33333  -106.72151  -130.68022   98
Found three species comparison        qtz         hlpv        fee      2.00000     1.33333     1.33333  -106.52360  -130.68022   99
Found three species comparison        qtz         hppv        fea      2.00000     1.33333     1.33333  -108.70872  -130.68022  100
Found three species comparison        qtz         hppv        feg      2.00000     1.33333     1.33333  -108.83370  -130.68022  101
Found three species comparison        qtz         hppv        fee      2.00000     1.33333     1.33333  -108.63579  -130.68022  102
Found three species comparison        qtz         lppv        fea      2.00000     1.33333     1.33333   -88.92705  -130.68022  103
Found three species comparison        qtz         lppv        feg      2.00000     1.33333     1.33333   -89.05204  -130.68022  104
Found three species comparison        qtz         lppv        fee      2.00000     1.33333     1.33333   -88.85413  -130.68022  105
  Found two species comparison        qtz         wu       2.00000     1.00000  -121.43743  -130.68022  106
  Found two species comparison        qtz         wuls     2.00000     1.00000   -96.11574  -130.68022  107
Found three species comparison        qtz         mag         fea      2.00000     1.00000     1.00000  -116.89863  -130.68022  108
Found three species comparison        qtz         mag         feg      2.00000     1.00000     1.00000  -116.99237  -130.68022  109
Found three species comparison        qtz         mag         fee      2.00000     1.00000     1.00000  -116.84394  -130.68022  110
Found three species comparison        qtz         hmag        fea      2.00000     1.00000     1.00000  -118.63075  -130.68022  111
Found three species comparison        qtz         hmag        feg      2.00000     1.00000     1.00000  -118.72449  -130.68022  112
Found three species comparison        qtz         hmag        fee      2.00000     1.00000     1.00000  -118.57605  -130.68022  113
Found three species comparison        coes        hepv        fea      2.00000     1.33333     1.33333  -116.46965  -130.68022  114
Found three species comparison        coes        hepv        feg      2.00000     1.33333     1.33333  -116.59463  -130.68022  115
Found three species comparison        coes        hepv        fee      2.00000     1.33333     1.33333  -116.39672  -130.68022  116
Found three species comparison        coes        hlpv        fea      2.00000     1.33333     1.33333  -108.71799  -130.68022  117
Found three species comparison        coes        hlpv        feg      2.00000     1.33333     1.33333  -108.84297  -130.68022  118
Found three species comparison        coes        hlpv        fee      2.00000     1.33333     1.33333  -108.64506  -130.68022  119
Found three species comparison        coes        hppv        fea      2.00000     1.33333     1.33333  -110.83017  -130.68022  120
Found three species comparison        coes        hppv        feg      2.00000     1.33333     1.33333  -110.95516  -130.68022  121
Found three species comparison        coes        hppv        fee      2.00000     1.33333     1.33333  -110.75725  -130.68022  122
Found three species comparison        coes        lppv        fea      2.00000     1.33333     1.33333   -91.04851  -130.68022  123
Found three species comparison        coes        lppv        feg      2.00000     1.33333     1.33333   -91.17349  -130.68022  124
Found three species comparison        coes        lppv        fee      2.00000     1.33333     1.33333   -90.97558  -130.68022  125
  Found two species comparison        coes        wu       2.00000     1.00000  -123.55889  -130.68022  126
  Found two species comparison        coes        wuls     2.00000     1.00000   -98.23720  -130.68022  127
Found three species comparison        coes        mag         fea      2.00000     1.00000     1.00000  -119.02009  -130.68022  128
Found three species comparison        coes        mag         feg      2.00000     1.00000     1.00000  -119.11383  -130.68022  129
Found three species comparison        coes        mag         fee      2.00000     1.00000     1.00000  -118.96539  -130.68022  130
Found three species comparison        coes        hmag        fea      2.00000     1.00000     1.00000  -120.75220  -130.68022  131
Found three species comparison        coes        hmag        feg      2.00000     1.00000     1.00000  -120.84594  -130.68022  132
Found three species comparison        coes        hmag        fee      2.00000     1.00000     1.00000  -120.69751  -130.68022  133
Found three species comparison        st          hepv        fea      2.00000     1.33333     1.33333  -123.59098  -130.68022  134
Found three species comparison        st          hepv        feg      2.00000     1.33333     1.33333  -123.71596  -130.68022  135
Found three species comparison        st          hepv        fee      2.00000     1.33333     1.33333  -123.51805  -130.68022  136
Found three species comparison        st          hlpv        fea      2.00000     1.33333     1.33333  -115.83932  -130.68022  137
Found three species comparison        st          hlpv        feg      2.00000     1.33333     1.33333  -115.96430  -130.68022  138
Found three species comparison        st          hlpv        fee      2.00000     1.33333     1.33333  -115.76639  -130.68022  139
Found three species comparison        st          hppv        fea      2.00000     1.33333     1.33333  -117.95151  -130.68022  140
Found three species comparison        st          hppv        feg      2.00000     1.33333     1.33333  -118.07649  -130.68022  141
Found three species comparison        st          hppv        fee      2.00000     1.33333     1.33333  -117.87858  -130.68022  142
Found three species comparison        st          lppv        fea      2.00000     1.33333     1.33333   -98.16984  -130.68022  143
Found three species comparison        st          lppv        feg      2.00000     1.33333     1.33333   -98.29483  -130.68022  144
Found three species comparison        st          lppv        fee      2.00000     1.33333     1.33333   -98.09692  -130.68022  145
  Found two species comparison        st          wu       2.00000     1.00000  -130.68022  -130.68022  146
  Found two species comparison        st          wuls     2.00000     1.00000  -105.35853  -130.68022  147
Found three species comparison        st          mag         fea      2.00000     1.00000     1.00000  -126.14142  -130.68022  148
Found three species comparison        st          mag         feg      2.00000     1.00000     1.00000  -126.23516  -130.68022  149
Found three species comparison        st          mag         fee      2.00000     1.00000     1.00000  -126.08673  -130.68022  150
Found three species comparison        st          hmag        fea      2.00000     1.00000     1.00000  -127.87354  -130.68022  151
Found three species comparison        st          hmag        feg      2.00000     1.00000     1.00000  -127.96727  -130.68022  152
Found three species comparison        st          hmag        fee      2.00000     1.00000     1.00000  -127.81884  -130.68022  153
Found three species comparison        apbo        hepv        fea      2.00000     1.33333     1.33333  -120.71533  -130.68022  154
Found three species comparison        apbo        hepv        feg      2.00000     1.33333     1.33333  -120.84031  -130.68022  155
Found three species comparison        apbo        hepv        fee      2.00000     1.33333     1.33333  -120.64240  -130.68022  156
Found three species comparison        apbo        hlpv        fea      2.00000     1.33333     1.33333  -112.96367  -130.68022  157
Found three species comparison        apbo        hlpv        feg      2.00000     1.33333     1.33333  -113.08865  -130.68022  158
Found three species comparison        apbo        hlpv        fee      2.00000     1.33333     1.33333  -112.89075  -130.68022  159
Found three species comparison        apbo        hppv        fea      2.00000     1.33333     1.33333  -115.07586  -130.68022  160
Found three species comparison        apbo        hppv        feg      2.00000     1.33333     1.33333  -115.20084  -130.68022  161
Found three species comparison        apbo        hppv        fee      2.00000     1.33333     1.33333  -115.00293  -130.68022  162
Found three species comparison        apbo        lppv        fea      2.00000     1.33333     1.33333   -95.29419  -130.68022  163
Found three species comparison        apbo        lppv        feg      2.00000     1.33333     1.33333   -95.41918  -130.68022  164
Found three species comparison        apbo        lppv        fee      2.00000     1.33333     1.33333   -95.22127  -130.68022  165
  Found two species comparison        apbo        wu       2.00000     1.00000  -127.80457  -130.68022  166
  Found two species comparison        apbo        wuls     2.00000     1.00000  -102.48288  -130.68022  167
Found three species comparison        apbo        mag         fea      2.00000     1.00000     1.00000  -123.26577  -130.68022  168
Found three species comparison        apbo        mag         feg      2.00000     1.00000     1.00000  -123.35951  -130.68022  169
Found three species comparison        apbo        mag         fee      2.00000     1.00000     1.00000  -123.21108  -130.68022  170
Found three species comparison        apbo        hmag        fea      2.00000     1.00000     1.00000  -124.99789  -130.68022  171
Found three species comparison        apbo        hmag        feg      2.00000     1.00000     1.00000  -125.09163  -130.68022  172
Found three species comparison        apbo        hmag        fee      2.00000     1.00000     1.00000  -124.94319  -130.68022  173
Found three species comparison        fepv        hepv        fea      2.00000     0.66667     0.66667  -124.29068  -130.68022  174
Found three species comparison        fepv        hepv        feg      2.00000     0.66667     0.66667  -124.35317  -130.68022  175
Found three species comparison        fepv        hepv        fee      2.00000     0.66667     0.66667  -124.25422  -130.68022  176
Found three species comparison        fepv        hlpv        fea      2.00000     0.66667     0.66667  -120.41485  -130.68022  177
Found three species comparison        fepv        hlpv        feg      2.00000     0.66667     0.66667  -120.47734  -130.68022  178
Found three species comparison        fepv        hlpv        fee      2.00000     0.66667     0.66667  -120.37839  -130.68022  179
Found three species comparison        fepv        hppv        fea      2.00000     0.66667     0.66667  -118.84731  -130.68022  180
Found three species comparison        fepv        hppv        feg      2.00000     0.66667     0.66667  -118.90980  -130.68022  181
Found three species comparison        fepv        hppv        fee      2.00000     0.66667     0.66667  -118.81085  -130.68022  182
Found three species comparison        fepv        lppv        fea      2.00000     0.66667     0.66667  -108.95648  -130.68022  183
Found three species comparison        fepv        lppv        feg      2.00000     0.66667     0.66667  -109.01897  -130.68022  184
Found three species comparison        fepv        lppv        fee      2.00000     0.66667     0.66667  -108.92002  -130.68022  185
  Found two species comparison        fepv        wu       2.00000     0.50000  -125.21167  -130.68022  186
  Found two species comparison        fepv        wuls     2.00000     0.50000  -112.55082  -130.68022  187
Found three species comparison        fepv        mag         fea      2.00000     0.50000     0.50000  -122.94227  -130.68022  188
Found three species comparison        fepv        mag         feg      2.00000     0.50000     0.50000  -122.98914  -130.68022  189
Found three species comparison        fepv        mag         fee      2.00000     0.50000     0.50000  -122.91492  -130.68022  190
Found three species comparison        fepv        hmag        fea      2.00000     0.50000     0.50000  -123.80833  -130.68022  191
Found three species comparison        fepv        hmag        feg      2.00000     0.50000     0.50000  -123.85520  -130.68022  192
Found three species comparison        fepv        hmag        fee      2.00000     0.50000     0.50000  -123.78098  -130.68022  193
Found three species comparison        hepv        flpv        fea      0.66667     2.00000     0.66667  -106.33562  -130.68022  194
Found three species comparison        hepv        flpv        feg      0.66667     2.00000     0.66667  -106.39811  -130.68022  195
Found three species comparison        hepv        flpv        fee      0.66667     2.00000     0.66667  -106.29916  -130.68022  196
Found three species comparison        hepv        fppv        fea      0.66667     2.00000     0.66667  -119.17835  -130.68022  197
Found three species comparison        hepv        fppv        feg      0.66667     2.00000     0.66667  -119.24084  -130.68022  198
Found three species comparison        hepv        fppv        fee      0.66667     2.00000     0.66667  -119.14189  -130.68022  199
Found three species comparison        hlpv        flpv        fea      0.66667     2.00000     0.66667  -102.45979  -130.68022  200
Found three species comparison        hlpv        flpv        feg      0.66667     2.00000     0.66667  -102.52228  -130.68022  201
Found three species comparison        hlpv        flpv        fee      0.66667     2.00000     0.66667  -102.42333  -130.68022  202
Found three species comparison        hlpv        fppv        fea      0.66667     2.00000     0.66667  -115.30252  -130.68022  203
Found three species comparison        hlpv        fppv        feg      0.66667     2.00000     0.66667  -115.36501  -130.68022  204
Found three species comparison        hlpv        fppv        fee      0.66667     2.00000     0.66667  -115.26606  -130.68022  205
Found three species comparison        flpv        hppv        fea      2.00000     0.66667     0.66667  -100.89225  -130.68022  206
Found three species comparison        flpv        hppv        feg      2.00000     0.66667     0.66667  -100.95474  -130.68022  207
Found three species comparison        flpv        hppv        fee      2.00000     0.66667     0.66667  -100.85579  -130.68022  208
Found three species comparison        flpv        lppv        fea      2.00000     0.66667     0.66667   -91.00142  -130.68022  209
Found three species comparison        flpv        lppv        feg      2.00000     0.66667     0.66667   -91.06391  -130.68022  210
Found three species comparison        flpv        lppv        fee      2.00000     0.66667     0.66667   -90.96496  -130.68022  211
  Found two species comparison        flpv        wu       2.00000     0.50000  -107.25661  -130.68022  212
  Found two species comparison        flpv        wuls     2.00000     0.50000   -94.59576  -130.68022  213
Found three species comparison        flpv        mag         fea      2.00000     0.50000     0.50000  -104.98721  -130.68022  214
Found three species comparison        flpv        mag         feg      2.00000     0.50000     0.50000  -105.03408  -130.68022  215
Found three species comparison        flpv        mag         fee      2.00000     0.50000     0.50000  -104.95986  -130.68022  216
Found three species comparison        flpv        hmag        fea      2.00000     0.50000     0.50000  -105.85327  -130.68022  217
Found three species comparison        flpv        hmag        feg      2.00000     0.50000     0.50000  -105.90014  -130.68022  218
Found three species comparison        flpv        hmag        fee      2.00000     0.50000     0.50000  -105.82592  -130.68022  219
Found three species comparison        fppv        hppv        fea      2.00000     0.66667     0.66667  -117.73225  -130.68022  220
Found three species comparison        fppv        hppv        feg      2.00000     0.66667     0.66667  -117.79474  -130.68022  221
Found three species comparison        fppv        hppv        fee      2.00000     0.66667     0.66667  -117.69579  -130.68022  222
Found three species comparison        fppv        lppv        fea      2.00000     0.66667     0.66667  -109.09141  -130.68022  223
Found three species comparison        fppv        lppv        feg      2.00000     0.66667     0.66667  -109.15391  -130.68022  224
Found three species comparison        fppv        lppv        fee      2.00000     0.66667     0.66667  -109.05495  -130.68022  225
  Found two species comparison        fppv        wu       2.00000     0.50000  -122.72297  -130.68022  226
  Found two species comparison        fppv        wuls     2.00000     0.50000  -110.06212  -130.68022  227
Found three species comparison        fppv        mag         fea      2.00000     0.50000     0.50000  -120.45357  -130.68022  228
Found three species comparison        fppv        mag         feg      2.00000     0.50000     0.50000  -120.50044  -130.68022  229
Found three species comparison        fppv        mag         fee      2.00000     0.50000     0.50000  -120.42622  -130.68022  230
Found three species comparison        fppv        hmag        fea      2.00000     0.50000     0.50000  -121.31963  -130.68022  231
Found three species comparison        fppv        hmag        feg      2.00000     0.50000     0.50000  -121.36650  -130.68022  232
Found three species comparison        fppv        hmag        fee      2.00000     0.50000     0.50000  -121.29228  -130.68022  233
 100 wust               2.00   0.00   4.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    3    2      -143.20587        17.40000      1473.00000
  Found one species comparison        fa       2.00000  -137.55578  -143.20587    1
  Found one species comparison        fewa     2.00000  -142.04765  -143.20587    2
  Found one species comparison        feri     2.00000  -143.22486  -143.20587    3
Found three species comparison        fs          hem         fea      1.00000     0.66667     0.66667  -136.08130  -143.20587    4
Found three species comparison        fs          hem         feg      1.00000     0.66667     0.66667  -136.13578  -143.20587    5
Found three species comparison        fs          hem         fee      1.00000     0.66667     0.66667  -136.02493  -143.20587    6
Found three species comparison        fs          hepv        fea      1.00000     0.66667     0.66667  -136.00308  -143.20587    7
Found three species comparison        fs          hepv        feg      1.00000     0.66667     0.66667  -136.05756  -143.20587    8
Found three species comparison        fs          hepv        fee      1.00000     0.66667     0.66667  -135.94671  -143.20587    9
Found three species comparison        fs          hlpv        fea      1.00000     0.66667     0.66667  -131.84801  -143.20587   10
Found three species comparison        fs          hlpv        feg      1.00000     0.66667     0.66667  -131.90249  -143.20587   11
Found three species comparison        fs          hlpv        fee      1.00000     0.66667     0.66667  -131.79164  -143.20587   12
Found three species comparison        fs          hppv        fea      1.00000     0.66667     0.66667  -132.91061  -143.20587   13
Found three species comparison        fs          hppv        feg      1.00000     0.66667     0.66667  -132.96509  -143.20587   14
Found three species comparison        fs          hppv        fee      1.00000     0.66667     0.66667  -132.85424  -143.20587   15
Found three species comparison        fs          lppv        fea      1.00000     0.66667     0.66667  -122.86973  -143.20587   16
Found three species comparison        fs          lppv        feg      1.00000     0.66667     0.66667  -122.92421  -143.20587   17
Found three species comparison        fs          lppv        fee      1.00000     0.66667     0.66667  -122.81336  -143.20587   18
  Found two species comparison        fs          wu       1.00000     0.50000  -139.44002  -143.20587   19
  Found two species comparison        fs          wuls     1.00000     0.50000  -126.38027  -143.20587   20
Found three species comparison        fs          mag         fea      1.00000     0.50000     0.50000  -137.40515  -143.20587   21
Found three species comparison        fs          mag         feg      1.00000     0.50000     0.50000  -137.44601  -143.20587   22
Found three species comparison        fs          mag         fee      1.00000     0.50000     0.50000  -137.36288  -143.20587   23
Found three species comparison        fs          hmag        fea      1.00000     0.50000     0.50000  -138.04988  -143.20587   24
Found three species comparison        fs          hmag        feg      1.00000     0.50000     0.50000  -138.09074  -143.20587   25
Found three species comparison        fs          hmag        fee      1.00000     0.50000     0.50000  -138.00760  -143.20587   26
Found three species comparison        fec2        hem         fea      1.00000     0.66667     0.66667  -136.62489  -143.20587   27
Found three species comparison        fec2        hem         feg      1.00000     0.66667     0.66667  -136.67937  -143.20587   28
Found three species comparison        fec2        hem         fee      1.00000     0.66667     0.66667  -136.56852  -143.20587   29
Found three species comparison        fec2        hepv        fea      1.00000     0.66667     0.66667  -136.54667  -143.20587   30
Found three species comparison        fec2        hepv        feg      1.00000     0.66667     0.66667  -136.60115  -143.20587   31
Found three species comparison        fec2        hepv        fee      1.00000     0.66667     0.66667  -136.49030  -143.20587   32
Found three species comparison        fec2        hlpv        fea      1.00000     0.66667     0.66667  -132.39160  -143.20587   33
Found three species comparison        fec2        hlpv        feg      1.00000     0.66667     0.66667  -132.44608  -143.20587   34
Found three species comparison        fec2        hlpv        fee      1.00000     0.66667     0.66667  -132.33523  -143.20587   35
Found three species comparison        fec2        hppv        fea      1.00000     0.66667     0.66667  -133.45420  -143.20587   36
Found three species comparison        fec2        hppv        feg      1.00000     0.66667     0.66667  -133.50868  -143.20587   37
Found three species comparison        fec2        hppv        fee      1.00000     0.66667     0.66667  -133.39783  -143.20587   38
Found three species comparison        fec2        lppv        fea      1.00000     0.66667     0.66667  -123.41332  -143.20587   39
Found three species comparison        fec2        lppv        feg      1.00000     0.66667     0.66667  -123.46780  -143.20587   40
Found three species comparison        fec2        lppv        fee      1.00000     0.66667     0.66667  -123.35695  -143.20587   41
  Found two species comparison        fec2        wu       1.00000     0.50000  -139.98361  -143.20587   42
  Found two species comparison        fec2        wuls     1.00000     0.50000  -126.92386  -143.20587   43
Found three species comparison        fec2        mag         fea      1.00000     0.50000     0.50000  -137.94874  -143.20587   44
Found three species comparison        fec2        mag         feg      1.00000     0.50000     0.50000  -137.98960  -143.20587   45
Found three species comparison        fec2        mag         fee      1.00000     0.50000     0.50000  -137.90647  -143.20587   46
Found three species comparison        fec2        hmag        fea      1.00000     0.50000     0.50000  -138.59347  -143.20587   47
Found three species comparison        fec2        hmag        feg      1.00000     0.50000     0.50000  -138.63433  -143.20587   48
Found three species comparison        fec2        hmag        fee      1.00000     0.50000     0.50000  -138.55119  -143.20587   49
Found three species comparison        feil        hem         fea      2.00000     0.66667     0.66667  -139.06856  -143.20587   50
Found three species comparison        feil        hem         feg      2.00000     0.66667     0.66667  -139.12304  -143.20587   51
Found three species comparison        feil        hem         fee      2.00000     0.66667     0.66667  -139.01219  -143.20587   52
Found three species comparison        feil        hepv        fea      2.00000     0.66667     0.66667  -136.36671  -143.20587   53
Found three species comparison        feil        hepv        feg      2.00000     0.66667     0.66667  -136.42119  -143.20587   54
Found three species comparison        feil        hepv        fee      2.00000     0.66667     0.66667  -136.31034  -143.20587   55
Found three species comparison        feil        hlpv        fea      2.00000     0.66667     0.66667  -132.21164  -143.20587   56
Found three species comparison        feil        hlpv        feg      2.00000     0.66667     0.66667  -132.26611  -143.20587   57
Found three species comparison        feil        hlpv        fee      2.00000     0.66667     0.66667  -132.15527  -143.20587   58
Found three species comparison        feil        hppv        fea      2.00000     0.66667     0.66667  -133.27424  -143.20587   59
Found three species comparison        feil        hppv        feg      2.00000     0.66667     0.66667  -133.32871  -143.20587   60
Found three species comparison        feil        hppv        fee      2.00000     0.66667     0.66667  -133.21787  -143.20587   61
Found three species comparison        feil        lppv        fea      2.00000     0.66667     0.66667  -123.23336  -143.20587   62
Found three species comparison        feil        lppv        feg      2.00000     0.66667     0.66667  -123.28784  -143.20587   63
Found three species comparison        feil        lppv        fee      2.00000     0.66667     0.66667  -123.17699  -143.20587   64
  Found two species comparison        feil        wu       2.00000     0.50000  -139.80365  -143.20587   65
  Found two species comparison        feil        wuls     2.00000     0.50000  -126.74390  -143.20587   66
Found three species comparison        feil        mag         fea      2.00000     0.50000     0.50000  -137.76878  -143.20587   67
Found three species comparison        feil        mag         feg      2.00000     0.50000     0.50000  -137.80964  -143.20587   68
Found three species comparison        feil        mag         fee      2.00000     0.50000     0.50000  -137.72650  -143.20587   69
Found three species comparison        feil        hmag        fea      2.00000     0.50000     0.50000  -138.41350  -143.20587   70
Found three species comparison        feil        hmag        feg      2.00000     0.50000     0.50000  -138.45436  -143.20587   71
Found three species comparison        feil        hmag        fee      2.00000     0.50000     0.50000  -138.37123  -143.20587   72
Found three species comparison        hem         qtz         fea      1.33333     2.00000     1.33333  -128.88877  -143.20587   73
Found three species comparison        hem         qtz         feg      1.33333     2.00000     1.33333  -128.99773  -143.20587   74
Found three species comparison        hem         qtz         fee      1.33333     2.00000     1.33333  -128.77603  -143.20587   75
Found three species comparison        hem         coes        fea      1.33333     2.00000     1.33333  -130.87502  -143.20587   76
Found three species comparison        hem         coes        feg      1.33333     2.00000     1.33333  -130.98398  -143.20587   77
Found three species comparison        hem         coes        fee      1.33333     2.00000     1.33333  -130.76229  -143.20587   78
Found three species comparison        hem         st          fea      1.33333     2.00000     1.33333  -136.48844  -143.20587   79
Found three species comparison        hem         st          feg      1.33333     2.00000     1.33333  -136.59740  -143.20587   80
Found three species comparison        hem         st          fee      1.33333     2.00000     1.33333  -136.37570  -143.20587   81
Found three species comparison        hem         apbo        fea      1.33333     2.00000     1.33333  -133.50848  -143.20587   82
Found three species comparison        hem         apbo        feg      1.33333     2.00000     1.33333  -133.61743  -143.20587   83
Found three species comparison        hem         apbo        fee      1.33333     2.00000     1.33333  -133.39574  -143.20587   84
Found three species comparison        hem         fepv        fea      0.66667     2.00000     0.66667  -134.16963  -143.20587   85
Found three species comparison        hem         fepv        feg      0.66667     2.00000     0.66667  -134.22411  -143.20587   86
Found three species comparison        hem         fepv        fee      0.66667     2.00000     0.66667  -134.11326  -143.20587   87
Found three species comparison        hem         flpv        fea      0.66667     2.00000     0.66667  -116.10351  -143.20587   88
Found three species comparison        hem         flpv        feg      0.66667     2.00000     0.66667  -116.15799  -143.20587   89
Found three species comparison        hem         flpv        fee      0.66667     2.00000     0.66667  -116.04714  -143.20587   90
Found three species comparison        hem         fppv        fea      0.66667     2.00000     0.66667  -131.50539  -143.20587   91
Found three species comparison        hem         fppv        feg      0.66667     2.00000     0.66667  -131.55987  -143.20587   92
Found three species comparison        hem         fppv        fee      0.66667     2.00000     0.66667  -131.44902  -143.20587   93
Found three species comparison        qtz         hepv        fea      2.00000     1.33333     1.33333  -128.73233  -143.20587   94
Found three species comparison        qtz         hepv        feg      2.00000     1.33333     1.33333  -128.84129  -143.20587   95
Found three species comparison        qtz         hepv        fee      2.00000     1.33333     1.33333  -128.61959  -143.20587   96
Found three species comparison        qtz         hlpv        fea      2.00000     1.33333     1.33333  -120.42218  -143.20587   97
Found three species comparison        qtz         hlpv        feg      2.00000     1.33333     1.33333  -120.53114  -143.20587   98
Found three species comparison        qtz         hlpv        fee      2.00000     1.33333     1.33333  -120.30945  -143.20587   99
Found three species comparison        qtz         hppv        fea      2.00000     1.33333     1.33333  -122.54738  -143.20587  100
Found three species comparison        qtz         hppv        feg      2.00000     1.33333     1.33333  -122.65634  -143.20587  101
Found three species comparison        qtz         hppv        fee      2.00000     1.33333     1.33333  -122.43465  -143.20587  102
Found three species comparison        qtz         lppv        fea      2.00000     1.33333     1.33333  -102.46563  -143.20587  103
Found three species comparison        qtz         lppv        feg      2.00000     1.33333     1.33333  -102.57459  -143.20587  104
Found three species comparison        qtz         lppv        fee      2.00000     1.33333     1.33333  -102.35289  -143.20587  105
  Found two species comparison        qtz         wu       2.00000     1.00000  -135.60620  -143.20587  106
  Found two species comparison        qtz         wuls     2.00000     1.00000  -109.48671  -143.20587  107
Found three species comparison        qtz         mag         fea      2.00000     1.00000     1.00000  -131.53647  -143.20587  108
Found three species comparison        qtz         mag         feg      2.00000     1.00000     1.00000  -131.61819  -143.20587  109
Found three species comparison        qtz         mag         fee      2.00000     1.00000     1.00000  -131.45192  -143.20587  110
Found three species comparison        qtz         hmag        fea      2.00000     1.00000     1.00000  -132.82592  -143.20587  111
Found three species comparison        qtz         hmag        feg      2.00000     1.00000     1.00000  -132.90764  -143.20587  112
Found three species comparison        qtz         hmag        fee      2.00000     1.00000     1.00000  -132.74137  -143.20587  113
Found three species comparison        coes        hepv        fea      2.00000     1.33333     1.33333  -130.71858  -143.20587  114
Found three species comparison        coes        hepv        feg      2.00000     1.33333     1.33333  -130.82754  -143.20587  115
Found three species comparison        coes        hepv        fee      2.00000     1.33333     1.33333  -130.60585  -143.20587  116
Found three species comparison        coes        hlpv        fea      2.00000     1.33333     1.33333  -122.40844  -143.20587  117
Found three species comparison        coes        hlpv        feg      2.00000     1.33333     1.33333  -122.51740  -143.20587  118
Found three species comparison        coes        hlpv        fee      2.00000     1.33333     1.33333  -122.29570  -143.20587  119
Found three species comparison        coes        hppv        fea      2.00000     1.33333     1.33333  -124.53364  -143.20587  120
Found three species comparison        coes        hppv        feg      2.00000     1.33333     1.33333  -124.64260  -143.20587  121
Found three species comparison        coes        hppv        fee      2.00000     1.33333     1.33333  -124.42090  -143.20587  122
Found three species comparison        coes        lppv        fea      2.00000     1.33333     1.33333  -104.45188  -143.20587  123
Found three species comparison        coes        lppv        feg      2.00000     1.33333     1.33333  -104.56084  -143.20587  124
Found three species comparison        coes        lppv        fee      2.00000     1.33333     1.33333  -104.33915  -143.20587  125
  Found two species comparison        coes        wu       2.00000     1.00000  -137.59246  -143.20587  126
  Found two species comparison        coes        wuls     2.00000     1.00000  -111.47297  -143.20587  127
Found three species comparison        coes        mag         fea      2.00000     1.00000     1.00000  -133.52273  -143.20587  128
Found three species comparison        coes        mag         feg      2.00000     1.00000     1.00000  -133.60445  -143.20587  129
Found three species comparison        coes        mag         fee      2.00000     1.00000     1.00000  -133.43818  -143.20587  130
Found three species comparison        coes        hmag        fea      2.00000     1.00000     1.00000  -134.81218  -143.20587  131
Found three species comparison        coes        hmag        feg      2.00000     1.00000     1.00000  -134.89390  -143.20587  132
Found three species comparison        coes        hmag        fee      2.00000     1.00000     1.00000  -134.72763  -143.20587  133
Found three species comparison        st          hepv        fea      2.00000     1.33333     1.33333  -136.33200  -143.20587  134
Found three species comparison        st          hepv        feg      2.00000     1.33333     1.33333  -136.44096  -143.20587  135
Found three species comparison        st          hepv        fee      2.00000     1.33333     1.33333  -136.21926  -143.20587  136
Found three species comparison        st          hlpv        fea      2.00000     1.33333     1.33333  -128.02186  -143.20587  137
Found three species comparison        st          hlpv        feg      2.00000     1.33333     1.33333  -128.13081  -143.20587  138
Found three species comparison        st          hlpv        fee      2.00000     1.33333     1.33333  -127.90912  -143.20587  139
Found three species comparison        st          hppv        fea      2.00000     1.33333     1.33333  -130.14705  -143.20587  140
Found three species comparison        st          hppv        feg      2.00000     1.33333     1.33333  -130.25601  -143.20587  141
Found three species comparison        st          hppv        fee      2.00000     1.33333     1.33333  -130.03432  -143.20587  142
Found three species comparison        st          lppv        fea      2.00000     1.33333     1.33333  -110.06530  -143.20587  143
Found three species comparison        st          lppv        feg      2.00000     1.33333     1.33333  -110.17426  -143.20587  144
Found three species comparison        st          lppv        fee      2.00000     1.33333     1.33333  -109.95256  -143.20587  145
  Found two species comparison        st          wu       2.00000     1.00000  -143.20587  -143.20587  146
  Found two species comparison        st          wuls     2.00000     1.00000  -117.08639  -143.20587  147
Found three species comparison        st          mag         fea      2.00000     1.00000     1.00000  -139.13614  -143.20587  148
Found three species comparison        st          mag         feg      2.00000     1.00000     1.00000  -139.21786  -143.20587  149
Found three species comparison        st          mag         fee      2.00000     1.00000     1.00000  -139.05159  -143.20587  150
Found three species comparison        st          hmag        fea      2.00000     1.00000     1.00000  -140.42559  -143.20587  151
Found three species comparison        st          hmag        feg      2.00000     1.00000     1.00000  -140.50731  -143.20587  152
Found three species comparison        st          hmag        fee      2.00000     1.00000     1.00000  -140.34104  -143.20587  153
Found three species comparison        apbo        hepv        fea      2.00000     1.33333     1.33333  -133.35204  -143.20587  154
Found three species comparison        apbo        hepv        feg      2.00000     1.33333     1.33333  -133.46099  -143.20587  155
Found three species comparison        apbo        hepv        fee      2.00000     1.33333     1.33333  -133.23930  -143.20587  156
Found three species comparison        apbo        hlpv        fea      2.00000     1.33333     1.33333  -125.04189  -143.20587  157
Found three species comparison        apbo        hlpv        feg      2.00000     1.33333     1.33333  -125.15085  -143.20587  158
Found three species comparison        apbo        hlpv        fee      2.00000     1.33333     1.33333  -124.92916  -143.20587  159
Found three species comparison        apbo        hppv        fea      2.00000     1.33333     1.33333  -127.16709  -143.20587  160
Found three species comparison        apbo        hppv        feg      2.00000     1.33333     1.33333  -127.27605  -143.20587  161
Found three species comparison        apbo        hppv        fee      2.00000     1.33333     1.33333  -127.05436  -143.20587  162
Found three species comparison        apbo        lppv        fea      2.00000     1.33333     1.33333  -107.08534  -143.20587  163
Found three species comparison        apbo        lppv        feg      2.00000     1.33333     1.33333  -107.19430  -143.20587  164
Found three species comparison        apbo        lppv        fee      2.00000     1.33333     1.33333  -106.97260  -143.20587  165
  Found two species comparison        apbo        wu       2.00000     1.00000  -140.22591  -143.20587  166
  Found two species comparison        apbo        wuls     2.00000     1.00000  -114.10642  -143.20587  167
Found three species comparison        apbo        mag         fea      2.00000     1.00000     1.00000  -136.15618  -143.20587  168
Found three species comparison        apbo        mag         feg      2.00000     1.00000     1.00000  -136.23790  -143.20587  169
Found three species comparison        apbo        mag         fee      2.00000     1.00000     1.00000  -136.07163  -143.20587  170
Found three species comparison        apbo        hmag        fea      2.00000     1.00000     1.00000  -137.44563  -143.20587  171
Found three species comparison        apbo        hmag        feg      2.00000     1.00000     1.00000  -137.52735  -143.20587  172
Found three species comparison        apbo        hmag        fee      2.00000     1.00000     1.00000  -137.36108  -143.20587  173
Found three species comparison        fepv        hepv        fea      2.00000     0.66667     0.66667  -136.71504  -143.20587  174
Found three species comparison        fepv        hepv        feg      2.00000     0.66667     0.66667  -136.76952  -143.20587  175
Found three species comparison        fepv        hepv        fee      2.00000     0.66667     0.66667  -136.65867  -143.20587  176
Found three species comparison        fepv        hlpv        fea      2.00000     0.66667     0.66667  -132.55997  -143.20587  177
Found three species comparison        fepv        hlpv        feg      2.00000     0.66667     0.66667  -132.61445  -143.20587  178
Found three species comparison        fepv        hlpv        fee      2.00000     0.66667     0.66667  -132.50360  -143.20587  179
Found three species comparison        fepv        hppv        fea      2.00000     0.66667     0.66667  -130.99894  -143.20587  180
Found three species comparison        fepv        hppv        feg      2.00000     0.66667     0.66667  -131.05341  -143.20587  181
Found three species comparison        fepv        hppv        fee      2.00000     0.66667     0.66667  -130.94257  -143.20587  182
Found three species comparison        fepv        lppv        fea      2.00000     0.66667     0.66667  -120.95806  -143.20587  183
Found three species comparison        fepv        lppv        feg      2.00000     0.66667     0.66667  -121.01254  -143.20587  184
Found three species comparison        fepv        lppv        fee      2.00000     0.66667     0.66667  -120.90169  -143.20587  185
  Found two species comparison        fepv        wu       2.00000     0.50000  -137.52835  -143.20587  186
  Found two species comparison        fepv        wuls     2.00000     0.50000  -124.46860  -143.20587  187
Found three species comparison        fepv        mag         fea      2.00000     0.50000     0.50000  -135.49348  -143.20587  188
Found three species comparison        fepv        mag         feg      2.00000     0.50000     0.50000  -135.53434  -143.20587  189
Found three species comparison        fepv        mag         fee      2.00000     0.50000     0.50000  -135.45120  -143.20587  190
Found three species comparison        fepv        hmag        fea      2.00000     0.50000     0.50000  -136.13820  -143.20587  191
Found three species comparison        fepv        hmag        feg      2.00000     0.50000     0.50000  -136.17906  -143.20587  192
Found three species comparison        fepv        hmag        fee      2.00000     0.50000     0.50000  -136.09593  -143.20587  193
Found three species comparison        hepv        flpv        fea      0.66667     2.00000     0.66667  -118.64893  -143.20587  194
Found three species comparison        hepv        flpv        feg      0.66667     2.00000     0.66667  -118.70341  -143.20587  195
Found three species comparison        hepv        flpv        fee      0.66667     2.00000     0.66667  -118.59256  -143.20587  196
Found three species comparison        hepv        fppv        fea      0.66667     2.00000     0.66667  -131.42717  -143.20587  197
Found three species comparison        hepv        fppv        feg      0.66667     2.00000     0.66667  -131.48165  -143.20587  198
Found three species comparison        hepv        fppv        fee      0.66667     2.00000     0.66667  -131.37080  -143.20587  199
Found three species comparison        hlpv        flpv        fea      0.66667     2.00000     0.66667  -114.49386  -143.20587  200
Found three species comparison        hlpv        flpv        feg      0.66667     2.00000     0.66667  -114.54833  -143.20587  201
Found three species comparison        hlpv        flpv        fee      0.66667     2.00000     0.66667  -114.43749  -143.20587  202
Found three species comparison        hlpv        fppv        fea      0.66667     2.00000     0.66667  -127.27210  -143.20587  203
Found three species comparison        hlpv        fppv        feg      0.66667     2.00000     0.66667  -127.32658  -143.20587  204
Found three species comparison        hlpv        fppv        fee      0.66667     2.00000     0.66667  -127.21573  -143.20587  205
Found three species comparison        flpv        hppv        fea      2.00000     0.66667     0.66667  -112.93282  -143.20587  206
Found three species comparison        flpv        hppv        feg      2.00000     0.66667     0.66667  -112.98730  -143.20587  207
Found three species comparison        flpv        hppv        fee      2.00000     0.66667     0.66667  -112.87645  -143.20587  208
Found three species comparison        flpv        lppv        fea      2.00000     0.66667     0.66667  -102.89194  -143.20587  209
Found three species comparison        flpv        lppv        feg      2.00000     0.66667     0.66667  -102.94642  -143.20587  210
Found three species comparison        flpv        lppv        fee      2.00000     0.66667     0.66667  -102.83558  -143.20587  211
  Found two species comparison        flpv        wu       2.00000     0.50000  -119.46223  -143.20587  212
  Found two species comparison        flpv        wuls     2.00000     0.50000  -106.40249  -143.20587  213
Found three species comparison        flpv        mag         fea      2.00000     0.50000     0.50000  -117.42737  -143.20587  214
Found three species comparison        flpv        mag         feg      2.00000     0.50000     0.50000  -117.46823  -143.20587  215
Found three species comparison        flpv        mag         fee      2.00000     0.50000     0.50000  -117.38509  -143.20587  216
Found three species comparison        flpv        hmag        fea      2.00000     0.50000     0.50000  -118.07209  -143.20587  217
Found three species comparison        flpv        hmag        feg      2.00000     0.50000     0.50000  -118.11295  -143.20587  218
Found three species comparison        flpv        hmag        fee      2.00000     0.50000     0.50000  -118.02981  -143.20587  219
Found three species comparison        fppv        hppv        fea      2.00000     0.66667     0.66667  -129.70833  -143.20587  220
Found three species comparison        fppv        hppv        feg      2.00000     0.66667     0.66667  -129.76281  -143.20587  221
Found three species comparison        fppv        hppv        fee      2.00000     0.66667     0.66667  -129.65197  -143.20587  222
Found three species comparison        fppv        lppv        fea      2.00000     0.66667     0.66667  -120.91746  -143.20587  223
Found three species comparison        fppv        lppv        feg      2.00000     0.66667     0.66667  -120.97194  -143.20587  224
Found three species comparison        fppv        lppv        fee      2.00000     0.66667     0.66667  -120.86109  -143.20587  225
  Found two species comparison        fppv        wu       2.00000     0.50000  -134.86411  -143.20587  226
  Found two species comparison        fppv        wuls     2.00000     0.50000  -121.80437  -143.20587  227
Found three species comparison        fppv        mag         fea      2.00000     0.50000     0.50000  -132.82924  -143.20587  228
Found three species comparison        fppv        mag         feg      2.00000     0.50000     0.50000  -132.87010  -143.20587  229
Found three species comparison        fppv        mag         fee      2.00000     0.50000     0.50000  -132.78697  -143.20587  230
Found three species comparison        fppv        hmag        fea      2.00000     0.50000     0.50000  -133.47397  -143.20587  231
Found three species comparison        fppv        hmag        feg      2.00000     0.50000     0.50000  -133.51483  -143.20587  232
Found three species comparison        fppv        hmag        fee      2.00000     0.50000     0.50000  -133.43169  -143.20587  233
 101 wust               2.00   0.00   4.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    3    2      -153.08453        17.70000      1673.00000
  Found one species comparison        fa       2.00000  -147.42596  -153.08453    1
  Found one species comparison        fewa     2.00000  -151.83947  -153.08453    2
  Found one species comparison        feri     2.00000  -152.97398  -153.08453    3
Found three species comparison        fs          hem         fea      1.00000     0.66667     0.66667  -145.80241  -153.08453    4
Found three species comparison        fs          hem         feg      1.00000     0.66667     0.66667  -145.84828  -153.08453    5
Found three species comparison        fs          hem         fee      1.00000     0.66667     0.66667  -145.70412  -153.08453    6
Found three species comparison        fs          hepv        fea      1.00000     0.66667     0.66667  -145.76448  -153.08453    7
Found three species comparison        fs          hepv        feg      1.00000     0.66667     0.66667  -145.81036  -153.08453    8
Found three species comparison        fs          hepv        fee      1.00000     0.66667     0.66667  -145.66619  -153.08453    9
Found three species comparison        fs          hlpv        fea      1.00000     0.66667     0.66667  -141.40261  -153.08453   10
Found three species comparison        fs          hlpv        feg      1.00000     0.66667     0.66667  -141.44849  -153.08453   11
Found three species comparison        fs          hlpv        fee      1.00000     0.66667     0.66667  -141.30432  -153.08453   12
Found three species comparison        fs          hppv        fea      1.00000     0.66667     0.66667  -142.60004  -153.08453   13
Found three species comparison        fs          hppv        feg      1.00000     0.66667     0.66667  -142.64592  -153.08453   14
Found three species comparison        fs          hppv        fee      1.00000     0.66667     0.66667  -142.50175  -153.08453   15
Found three species comparison        fs          lppv        fea      1.00000     0.66667     0.66667  -132.44072  -153.08453   16
Found three species comparison        fs          lppv        feg      1.00000     0.66667     0.66667  -132.48659  -153.08453   17
Found three species comparison        fs          lppv        fee      1.00000     0.66667     0.66667  -132.34243  -153.08453   18
  Found two species comparison        fs          wu       1.00000     0.50000  -149.51715  -153.08453   19
  Found two species comparison        fs          wuls     1.00000     0.50000  -135.94843  -153.08453   20
Found three species comparison        fs          mag         fea      1.00000     0.50000     0.50000  -147.35202  -153.08453   21
Found three species comparison        fs          mag         feg      1.00000     0.50000     0.50000  -147.38643  -153.08453   22
Found three species comparison        fs          mag         fee      1.00000     0.50000     0.50000  -147.27831  -153.08453   23
Found three species comparison        fs          hmag        fea      1.00000     0.50000     0.50000  -147.98290  -153.08453   24
Found three species comparison        fs          hmag        feg      1.00000     0.50000     0.50000  -148.01731  -153.08453   25
Found three species comparison        fs          hmag        fee      1.00000     0.50000     0.50000  -147.90918  -153.08453   26
Found three species comparison        fec2        hem         fea      1.00000     0.66667     0.66667  -146.17691  -153.08453   27
Found three species comparison        fec2        hem         feg      1.00000     0.66667     0.66667  -146.22278  -153.08453   28
Found three species comparison        fec2        hem         fee      1.00000     0.66667     0.66667  -146.07862  -153.08453   29
Found three species comparison        fec2        hepv        fea      1.00000     0.66667     0.66667  -146.13898  -153.08453   30
Found three species comparison        fec2        hepv        feg      1.00000     0.66667     0.66667  -146.18486  -153.08453   31
Found three species comparison        fec2        hepv        fee      1.00000     0.66667     0.66667  -146.04070  -153.08453   32
Found three species comparison        fec2        hlpv        fea      1.00000     0.66667     0.66667  -141.77711  -153.08453   33
Found three species comparison        fec2        hlpv        feg      1.00000     0.66667     0.66667  -141.82299  -153.08453   34
Found three species comparison        fec2        hlpv        fee      1.00000     0.66667     0.66667  -141.67882  -153.08453   35
Found three species comparison        fec2        hppv        fea      1.00000     0.66667     0.66667  -142.97455  -153.08453   36
Found three species comparison        fec2        hppv        feg      1.00000     0.66667     0.66667  -143.02042  -153.08453   37
Found three species comparison        fec2        hppv        fee      1.00000     0.66667     0.66667  -142.87626  -153.08453   38
Found three species comparison        fec2        lppv        fea      1.00000     0.66667     0.66667  -132.81522  -153.08453   39
Found three species comparison        fec2        lppv        feg      1.00000     0.66667     0.66667  -132.86110  -153.08453   40
Found three species comparison        fec2        lppv        fee      1.00000     0.66667     0.66667  -132.71693  -153.08453   41
  Found two species comparison        fec2        wu       1.00000     0.50000  -149.89166  -153.08453   42
  Found two species comparison        fec2        wuls     1.00000     0.50000  -136.32294  -153.08453   43
Found three species comparison        fec2        mag         fea      1.00000     0.50000     0.50000  -147.72653  -153.08453   44
Found three species comparison        fec2        mag         feg      1.00000     0.50000     0.50000  -147.76093  -153.08453   45
Found three species comparison        fec2        mag         fee      1.00000     0.50000     0.50000  -147.65281  -153.08453   46
Found three species comparison        fec2        hmag        fea      1.00000     0.50000     0.50000  -148.35740  -153.08453   47
Found three species comparison        fec2        hmag        feg      1.00000     0.50000     0.50000  -148.39181  -153.08453   48
Found three species comparison        fec2        hmag        fee      1.00000     0.50000     0.50000  -148.28369  -153.08453   49
Found three species comparison        feil        hem         fea      2.00000     0.66667     0.66667  -148.87411  -153.08453   50
Found three species comparison        feil        hem         feg      2.00000     0.66667     0.66667  -148.91999  -153.08453   51
Found three species comparison        feil        hem         fee      2.00000     0.66667     0.66667  -148.77582  -153.08453   52
Found three species comparison        feil        hepv        fea      2.00000     0.66667     0.66667  -145.85633  -153.08453   53
Found three species comparison        feil        hepv        feg      2.00000     0.66667     0.66667  -145.90220  -153.08453   54
Found three species comparison        feil        hepv        fee      2.00000     0.66667     0.66667  -145.75804  -153.08453   55
Found three species comparison        feil        hlpv        fea      2.00000     0.66667     0.66667  -141.49445  -153.08453   56
Found three species comparison        feil        hlpv        feg      2.00000     0.66667     0.66667  -141.54033  -153.08453   57
Found three species comparison        feil        hlpv        fee      2.00000     0.66667     0.66667  -141.39617  -153.08453   58
Found three species comparison        feil        hppv        fea      2.00000     0.66667     0.66667  -142.69189  -153.08453   59
Found three species comparison        feil        hppv        feg      2.00000     0.66667     0.66667  -142.73776  -153.08453   60
Found three species comparison        feil        hppv        fee      2.00000     0.66667     0.66667  -142.59360  -153.08453   61
Found three species comparison        feil        lppv        fea      2.00000     0.66667     0.66667  -132.53256  -153.08453   62
Found three species comparison        feil        lppv        feg      2.00000     0.66667     0.66667  -132.57844  -153.08453   63
Found three species comparison        feil        lppv        fee      2.00000     0.66667     0.66667  -132.43427  -153.08453   64
  Found two species comparison        feil        wu       2.00000     0.50000  -149.60900  -153.08453   65
  Found two species comparison        feil        wuls     2.00000     0.50000  -136.04028  -153.08453   66
Found three species comparison        feil        mag         fea      2.00000     0.50000     0.50000  -147.44387  -153.08453   67
Found three species comparison        feil        mag         feg      2.00000     0.50000     0.50000  -147.47827  -153.08453   68
Found three species comparison        feil        mag         fee      2.00000     0.50000     0.50000  -147.37015  -153.08453   69
Found three species comparison        feil        hmag        fea      2.00000     0.50000     0.50000  -148.07474  -153.08453   70
Found three species comparison        feil        hmag        feg      2.00000     0.50000     0.50000  -148.10915  -153.08453   71
Found three species comparison        feil        hmag        fee      2.00000     0.50000     0.50000  -148.00103  -153.08453   72
Found three species comparison        hem         qtz         fea      1.33333     2.00000     1.33333  -138.21281  -153.08453   73
Found three species comparison        hem         qtz         feg      1.33333     2.00000     1.33333  -138.30456  -153.08453   74
Found three species comparison        hem         qtz         fee      1.33333     2.00000     1.33333  -138.01623  -153.08453   75
Found three species comparison        hem         coes        fea      1.33333     2.00000     1.33333  -140.31047  -153.08453   76
Found three species comparison        hem         coes        feg      1.33333     2.00000     1.33333  -140.40222  -153.08453   77
Found three species comparison        hem         coes        fee      1.33333     2.00000     1.33333  -140.11389  -153.08453   78
Found three species comparison        hem         st          fea      1.33333     2.00000     1.33333  -145.65503  -153.08453   79
Found three species comparison        hem         st          feg      1.33333     2.00000     1.33333  -145.74678  -153.08453   80
Found three species comparison        hem         st          fee      1.33333     2.00000     1.33333  -145.45845  -153.08453   81
Found three species comparison        hem         apbo        fea      1.33333     2.00000     1.33333  -142.62600  -153.08453   82
Found three species comparison        hem         apbo        feg      1.33333     2.00000     1.33333  -142.71775  -153.08453   83
Found three species comparison        hem         apbo        fee      1.33333     2.00000     1.33333  -142.42942  -153.08453   84
Found three species comparison        hem         fepv        fea      0.66667     2.00000     0.66667  -143.85519  -153.08453   85
Found three species comparison        hem         fepv        feg      0.66667     2.00000     0.66667  -143.90106  -153.08453   86
Found three species comparison        hem         fepv        fee      0.66667     2.00000     0.66667  -143.75690  -153.08453   87
Found three species comparison        hem         flpv        fea      0.66667     2.00000     0.66667  -125.68962  -153.08453   88
Found three species comparison        hem         flpv        feg      0.66667     2.00000     0.66667  -125.73549  -153.08453   89
Found three species comparison        hem         flpv        fee      0.66667     2.00000     0.66667  -125.59133  -153.08453   90
Found three species comparison        hem         fppv        fea      0.66667     2.00000     0.66667  -141.01006  -153.08453   91
Found three species comparison        hem         fppv        feg      0.66667     2.00000     0.66667  -141.05594  -153.08453   92
Found three species comparison        hem         fppv        fee      0.66667     2.00000     0.66667  -140.91177  -153.08453   93
Found three species comparison        qtz         hepv        fea      2.00000     1.33333     1.33333  -138.13696  -153.08453   94
Found three species comparison        qtz         hepv        feg      2.00000     1.33333     1.33333  -138.22871  -153.08453   95
Found three species comparison        qtz         hepv        fee      2.00000     1.33333     1.33333  -137.94038  -153.08453   96
Found three species comparison        qtz         hlpv        fea      2.00000     1.33333     1.33333  -129.41322  -153.08453   97
Found three species comparison        qtz         hlpv        feg      2.00000     1.33333     1.33333  -129.50497  -153.08453   98
Found three species comparison        qtz         hlpv        fee      2.00000     1.33333     1.33333  -129.21664  -153.08453   99
Found three species comparison        qtz         hppv        fea      2.00000     1.33333     1.33333  -131.80808  -153.08453  100
Found three species comparison        qtz         hppv        feg      2.00000     1.33333     1.33333  -131.89984  -153.08453  101
Found three species comparison        qtz         hppv        fee      2.00000     1.33333     1.33333  -131.61151  -153.08453  102
Found three species comparison        qtz         lppv        fea      2.00000     1.33333     1.33333  -111.48943  -153.08453  103
Found three species comparison        qtz         lppv        feg      2.00000     1.33333     1.33333  -111.58118  -153.08453  104
Found three species comparison        qtz         lppv        fee      2.00000     1.33333     1.33333  -111.29285  -153.08453  105
  Found two species comparison        qtz         wu       2.00000     1.00000  -145.64231  -153.08453  106
  Found two species comparison        qtz         wuls     2.00000     1.00000  -118.50486  -153.08453  107
Found three species comparison        qtz         mag         fea      2.00000     1.00000     1.00000  -141.31204  -153.08453  108
Found three species comparison        qtz         mag         feg      2.00000     1.00000     1.00000  -141.38086  -153.08453  109
Found three species comparison        qtz         mag         fee      2.00000     1.00000     1.00000  -141.16461  -153.08453  110
Found three species comparison        qtz         hmag        fea      2.00000     1.00000     1.00000  -142.57380  -153.08453  111
Found three species comparison        qtz         hmag        feg      2.00000     1.00000     1.00000  -142.64261  -153.08453  112
Found three species comparison        qtz         hmag        fee      2.00000     1.00000     1.00000  -142.42636  -153.08453  113
Found three species comparison        coes        hepv        fea      2.00000     1.33333     1.33333  -140.23462  -153.08453  114
Found three species comparison        coes        hepv        feg      2.00000     1.33333     1.33333  -140.32637  -153.08453  115
Found three species comparison        coes        hepv        fee      2.00000     1.33333     1.33333  -140.03804  -153.08453  116
Found three species comparison        coes        hlpv        fea      2.00000     1.33333     1.33333  -131.51088  -153.08453  117
Found three species comparison        coes        hlpv        feg      2.00000     1.33333     1.33333  -131.60263  -153.08453  118
Found three species comparison        coes        hlpv        fee      2.00000     1.33333     1.33333  -131.31430  -153.08453  119
Found three species comparison        coes        hppv        fea      2.00000     1.33333     1.33333  -133.90574  -153.08453  120
Found three species comparison        coes        hppv        feg      2.00000     1.33333     1.33333  -133.99749  -153.08453  121
Found three species comparison        coes        hppv        fee      2.00000     1.33333     1.33333  -133.70916  -153.08453  122
Found three species comparison        coes        lppv        fea      2.00000     1.33333     1.33333  -113.58709  -153.08453  123
Found three species comparison        coes        lppv        feg      2.00000     1.33333     1.33333  -113.67884  -153.08453  124
Found three species comparison        coes        lppv        fee      2.00000     1.33333     1.33333  -113.39051  -153.08453  125
  Found two species comparison        coes        wu       2.00000     1.00000  -147.73997  -153.08453  126
  Found two species comparison        coes        wuls     2.00000     1.00000  -120.60252  -153.08453  127
Found three species comparison        coes        mag         fea      2.00000     1.00000     1.00000  -143.40970  -153.08453  128
Found three species comparison        coes        mag         feg      2.00000     1.00000     1.00000  -143.47851  -153.08453  129
Found three species comparison        coes        mag         fee      2.00000     1.00000     1.00000  -143.26227  -153.08453  130
Found three species comparison        coes        hmag        fea      2.00000     1.00000     1.00000  -144.67146  -153.08453  131
Found three species comparison        coes        hmag        feg      2.00000     1.00000     1.00000  -144.74027  -153.08453  132
Found three species comparison        coes        hmag        fee      2.00000     1.00000     1.00000  -144.52402  -153.08453  133
Found three species comparison        st          hepv        fea      2.00000     1.33333     1.33333  -145.57918  -153.08453  134
Found three species comparison        st          hepv        feg      2.00000     1.33333     1.33333  -145.67093  -153.08453  135
Found three species comparison        st          hepv        fee      2.00000     1.33333     1.33333  -145.38260  -153.08453  136
Found three species comparison        st          hlpv        fea      2.00000     1.33333     1.33333  -136.85544  -153.08453  137
Found three species comparison        st          hlpv        feg      2.00000     1.33333     1.33333  -136.94719  -153.08453  138
Found three species comparison        st          hlpv        fee      2.00000     1.33333     1.33333  -136.65886  -153.08453  139
Found three species comparison        st          hppv        fea      2.00000     1.33333     1.33333  -139.25030  -153.08453  140
Found three species comparison        st          hppv        feg      2.00000     1.33333     1.33333  -139.34205  -153.08453  141
Found three species comparison        st          hppv        fee      2.00000     1.33333     1.33333  -139.05373  -153.08453  142
Found three species comparison        st          lppv        fea      2.00000     1.33333     1.33333  -118.93165  -153.08453  143
Found three species comparison        st          lppv        feg      2.00000     1.33333     1.33333  -119.02340  -153.08453  144
Found three species comparison        st          lppv        fee      2.00000     1.33333     1.33333  -118.73507  -153.08453  145
  Found two species comparison        st          wu       2.00000     1.00000  -153.08453  -153.08453  146
  Found two species comparison        st          wuls     2.00000     1.00000  -125.94708  -153.08453  147
Found three species comparison        st          mag         fea      2.00000     1.00000     1.00000  -148.75426  -153.08453  148
Found three species comparison        st          mag         feg      2.00000     1.00000     1.00000  -148.82308  -153.08453  149
Found three species comparison        st          mag         fee      2.00000     1.00000     1.00000  -148.60683  -153.08453  150
Found three species comparison        st          hmag        fea      2.00000     1.00000     1.00000  -150.01602  -153.08453  151
Found three species comparison        st          hmag        feg      2.00000     1.00000     1.00000  -150.08483  -153.08453  152
Found three species comparison        st          hmag        fee      2.00000     1.00000     1.00000  -149.86858  -153.08453  153
Found three species comparison        apbo        hepv        fea      2.00000     1.33333     1.33333  -142.55015  -153.08453  154
Found three species comparison        apbo        hepv        feg      2.00000     1.33333     1.33333  -142.64190  -153.08453  155
Found three species comparison        apbo        hepv        fee      2.00000     1.33333     1.33333  -142.35357  -153.08453  156
Found three species comparison        apbo        hlpv        fea      2.00000     1.33333     1.33333  -133.82641  -153.08453  157
Found three species comparison        apbo        hlpv        feg      2.00000     1.33333     1.33333  -133.91816  -153.08453  158
Found three species comparison        apbo        hlpv        fee      2.00000     1.33333     1.33333  -133.62983  -153.08453  159
Found three species comparison        apbo        hppv        fea      2.00000     1.33333     1.33333  -136.22127  -153.08453  160
Found three species comparison        apbo        hppv        feg      2.00000     1.33333     1.33333  -136.31303  -153.08453  161
Found three species comparison        apbo        hppv        fee      2.00000     1.33333     1.33333  -136.02470  -153.08453  162
Found three species comparison        apbo        lppv        fea      2.00000     1.33333     1.33333  -115.90262  -153.08453  163
Found three species comparison        apbo        lppv        feg      2.00000     1.33333     1.33333  -115.99437  -153.08453  164
Found three species comparison        apbo        lppv        fee      2.00000     1.33333     1.33333  -115.70605  -153.08453  165
  Found two species comparison        apbo        wu       2.00000     1.00000  -150.05550  -153.08453  166
  Found two species comparison        apbo        wuls     2.00000     1.00000  -122.91805  -153.08453  167
Found three species comparison        apbo        mag         fea      2.00000     1.00000     1.00000  -145.72523  -153.08453  168
Found three species comparison        apbo        mag         feg      2.00000     1.00000     1.00000  -145.79405  -153.08453  169
Found three species comparison        apbo        mag         fee      2.00000     1.00000     1.00000  -145.57780  -153.08453  170
Found three species comparison        apbo        hmag        fea      2.00000     1.00000     1.00000  -146.98699  -153.08453  171
Found three species comparison        apbo        hmag        feg      2.00000     1.00000     1.00000  -147.05580  -153.08453  172
Found three species comparison        apbo        hmag        fee      2.00000     1.00000     1.00000  -146.83955  -153.08453  173
Found three species comparison        fepv        hepv        fea      2.00000     0.66667     0.66667  -146.79713  -153.08453  174
Found three species comparison        fepv        hepv        feg      2.00000     0.66667     0.66667  -146.84300  -153.08453  175
Found three species comparison        fepv        hepv        fee      2.00000     0.66667     0.66667  -146.69884  -153.08453  176
Found three species comparison        fepv        hlpv        fea      2.00000     0.66667     0.66667  -142.43526  -153.08453  177
Found three species comparison        fepv        hlpv        feg      2.00000     0.66667     0.66667  -142.48113  -153.08453  178
Found three species comparison        fepv        hlpv        fee      2.00000     0.66667     0.66667  -142.33697  -153.08453  179
Found three species comparison        fepv        hppv        fea      2.00000     0.66667     0.66667  -140.65282  -153.08453  180
Found three species comparison        fepv        hppv        feg      2.00000     0.66667     0.66667  -140.69870  -153.08453  181
Found three species comparison        fepv        hppv        fee      2.00000     0.66667     0.66667  -140.55453  -153.08453  182
Found three species comparison        fepv        lppv        fea      2.00000     0.66667     0.66667  -130.49350  -153.08453  183
Found three species comparison        fepv        lppv        feg      2.00000     0.66667     0.66667  -130.53937  -153.08453  184
Found three species comparison        fepv        lppv        fee      2.00000     0.66667     0.66667  -130.39521  -153.08453  185
  Found two species comparison        fepv        wu       2.00000     0.50000  -147.56994  -153.08453  186
  Found two species comparison        fepv        wuls     2.00000     0.50000  -134.00121  -153.08453  187
Found three species comparison        fepv        mag         fea      2.00000     0.50000     0.50000  -145.40480  -153.08453  188
Found three species comparison        fepv        mag         feg      2.00000     0.50000     0.50000  -145.43921  -153.08453  189
Found three species comparison        fepv        mag         fee      2.00000     0.50000     0.50000  -145.33109  -153.08453  190
Found three species comparison        fepv        hmag        fea      2.00000     0.50000     0.50000  -146.03568  -153.08453  191
Found three species comparison        fepv        hmag        feg      2.00000     0.50000     0.50000  -146.07009  -153.08453  192
Found three species comparison        fepv        hmag        fee      2.00000     0.50000     0.50000  -145.96196  -153.08453  193
Found three species comparison        hepv        flpv        fea      0.66667     2.00000     0.66667  -128.63156  -153.08453  194
Found three species comparison        hepv        flpv        feg      0.66667     2.00000     0.66667  -128.67743  -153.08453  195
Found three species comparison        hepv        flpv        fee      0.66667     2.00000     0.66667  -128.53327  -153.08453  196
Found three species comparison        hepv        fppv        fea      0.66667     2.00000     0.66667  -140.97214  -153.08453  197
Found three species comparison        hepv        fppv        feg      0.66667     2.00000     0.66667  -141.01801  -153.08453  198
Found three species comparison        hepv        fppv        fee      0.66667     2.00000     0.66667  -140.87385  -153.08453  199
Found three species comparison        hlpv        flpv        fea      0.66667     2.00000     0.66667  -124.26969  -153.08453  200
Found three species comparison        hlpv        flpv        feg      0.66667     2.00000     0.66667  -124.31556  -153.08453  201
Found three species comparison        hlpv        flpv        fee      0.66667     2.00000     0.66667  -124.17140  -153.08453  202
Found three species comparison        hlpv        fppv        fea      0.66667     2.00000     0.66667  -136.61027  -153.08453  203
Found three species comparison        hlpv        fppv        feg      0.66667     2.00000     0.66667  -136.65614  -153.08453  204
Found three species comparison        hlpv        fppv        fee      0.66667     2.00000     0.66667  -136.51198  -153.08453  205
Found three species comparison        flpv        hppv        fea      2.00000     0.66667     0.66667  -122.48725  -153.08453  206
Found three species comparison        flpv        hppv        feg      2.00000     0.66667     0.66667  -122.53313  -153.08453  207
Found three species comparison        flpv        hppv        fee      2.00000     0.66667     0.66667  -122.38896  -153.08453  208
Found three species comparison        flpv        lppv        fea      2.00000     0.66667     0.66667  -112.32793  -153.08453  209
Found three species comparison        flpv        lppv        feg      2.00000     0.66667     0.66667  -112.37380  -153.08453  210
Found three species comparison        flpv        lppv        fee      2.00000     0.66667     0.66667  -112.22964  -153.08453  211
  Found two species comparison        flpv        wu       2.00000     0.50000  -129.40436  -153.08453  212
  Found two species comparison        flpv        wuls     2.00000     0.50000  -115.83564  -153.08453  213
Found three species comparison        flpv        mag         fea      2.00000     0.50000     0.50000  -127.23923  -153.08453  214
Found three species comparison        flpv        mag         feg      2.00000     0.50000     0.50000  -127.27364  -153.08453  215
Found three species comparison        flpv        mag         fee      2.00000     0.50000     0.50000  -127.16552  -153.08453  216
Found three species comparison        flpv        hmag        fea      2.00000     0.50000     0.50000  -127.87011  -153.08453  217
Found three species comparison        flpv        hmag        feg      2.00000     0.50000     0.50000  -127.90452  -153.08453  218
Found three species comparison        flpv        hmag        fee      2.00000     0.50000     0.50000  -127.79639  -153.08453  219
Found three species comparison        fppv        hppv        fea      2.00000     0.66667     0.66667  -139.53756  -153.08453  220
Found three species comparison        fppv        hppv        feg      2.00000     0.66667     0.66667  -139.58344  -153.08453  221
Found three species comparison        fppv        hppv        fee      2.00000     0.66667     0.66667  -139.43928  -153.08453  222
Found three species comparison        fppv        lppv        fea      2.00000     0.66667     0.66667  -130.62824  -153.08453  223
Found three species comparison        fppv        lppv        feg      2.00000     0.66667     0.66667  -130.67411  -153.08453  224
Found three species comparison        fppv        lppv        fee      2.00000     0.66667     0.66667  -130.52995  -153.08453  225
  Found two species comparison        fppv        wu       2.00000     0.50000  -144.72481  -153.08453  226
  Found two species comparison        fppv        wuls     2.00000     0.50000  -131.15609  -153.08453  227
Found three species comparison        fppv        mag         fea      2.00000     0.50000     0.50000  -142.55968  -153.08453  228
Found three species comparison        fppv        mag         feg      2.00000     0.50000     0.50000  -142.59409  -153.08453  229
Found three species comparison        fppv        mag         fee      2.00000     0.50000     0.50000  -142.48596  -153.08453  230
Found three species comparison        fppv        hmag        fea      2.00000     0.50000     0.50000  -143.19056  -153.08453  231
Found three species comparison        fppv        hmag        feg      2.00000     0.50000     0.50000  -143.22496  -153.08453  232
Found three species comparison        fppv        hmag        fee      2.00000     0.50000     0.50000  -143.11684  -153.08453  233
 102 wust               2.00   0.00   4.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    3    2      -166.75358        17.40000      1873.00000
  Found one species comparison        fa       2.00000  -161.57580  -166.75358    1
  Found one species comparison        fewa     2.00000  -165.70097  -166.75358    2
  Found one species comparison        feri     2.00000  -166.76175  -166.75358    3
Found three species comparison        fs          hem         fea      1.00000     0.66667     0.66667  -159.71903  -166.75358    4
Found three species comparison        fs          hem         feg      1.00000     0.66667     0.66667  -159.75363  -166.75358    5
Found three species comparison        fs          hem         fee      1.00000     0.66667     0.66667  -159.58107  -166.75358    6
Found three species comparison        fs          hepv        fea      1.00000     0.66667     0.66667  -159.72515  -166.75358    7
Found three species comparison        fs          hepv        feg      1.00000     0.66667     0.66667  -159.75975  -166.75358    8
Found three species comparison        fs          hepv        fee      1.00000     0.66667     0.66667  -159.58719  -166.75358    9
Found three species comparison        fs          hlpv        fea      1.00000     0.66667     0.66667  -155.08076  -166.75358   10
Found three species comparison        fs          hlpv        feg      1.00000     0.66667     0.66667  -155.11536  -166.75358   11
Found three species comparison        fs          hlpv        fee      1.00000     0.66667     0.66667  -154.94280  -166.75358   12
Found three species comparison        fs          hppv        fea      1.00000     0.66667     0.66667  -156.42154  -166.75358   13
Found three species comparison        fs          hppv        feg      1.00000     0.66667     0.66667  -156.45615  -166.75358   14
Found three species comparison        fs          hppv        fee      1.00000     0.66667     0.66667  -156.28359  -166.75358   15
Found three species comparison        fs          lppv        fea      1.00000     0.66667     0.66667  -146.10721  -166.75358   16
Found three species comparison        fs          lppv        feg      1.00000     0.66667     0.66667  -146.14182  -166.75358   17
Found three species comparison        fs          lppv        fee      1.00000     0.66667     0.66667  -145.96926  -166.75358   18
  Found two species comparison        fs          wu       1.00000     0.50000  -163.75215  -166.75358   19
  Found two species comparison        fs          wuls     1.00000     0.50000  -149.57235  -166.75358   20
Found three species comparison        fs          mag         fea      1.00000     0.50000     0.50000  -161.51925  -166.75358   21
Found three species comparison        fs          mag         feg      1.00000     0.50000     0.50000  -161.54521  -166.75358   22
Found three species comparison        fs          mag         fee      1.00000     0.50000     0.50000  -161.41579  -166.75358   23
Found three species comparison        fs          hmag        fea      1.00000     0.50000     0.50000  -162.08798  -166.75358   24
Found three species comparison        fs          hmag        feg      1.00000     0.50000     0.50000  -162.11393  -166.75358   25
Found three species comparison        fs          hmag        fee      1.00000     0.50000     0.50000  -161.98451  -166.75358   26
Found three species comparison        fec2        hem         fea      1.00000     0.66667     0.66667  -159.91614  -166.75358   27
Found three species comparison        fec2        hem         feg      1.00000     0.66667     0.66667  -159.95075  -166.75358   28
Found three species comparison        fec2        hem         fee      1.00000     0.66667     0.66667  -159.77819  -166.75358   29
Found three species comparison        fec2        hepv        fea      1.00000     0.66667     0.66667  -159.92226  -166.75358   30
Found three species comparison        fec2        hepv        feg      1.00000     0.66667     0.66667  -159.95687  -166.75358   31
Found three species comparison        fec2        hepv        fee      1.00000     0.66667     0.66667  -159.78431  -166.75358   32
Found three species comparison        fec2        hlpv        fea      1.00000     0.66667     0.66667  -155.27787  -166.75358   33
Found three species comparison        fec2        hlpv        feg      1.00000     0.66667     0.66667  -155.31248  -166.75358   34
Found three species comparison        fec2        hlpv        fee      1.00000     0.66667     0.66667  -155.13992  -166.75358   35
Found three species comparison        fec2        hppv        fea      1.00000     0.66667     0.66667  -156.61865  -166.75358   36
Found three species comparison        fec2        hppv        feg      1.00000     0.66667     0.66667  -156.65326  -166.75358   37
Found three species comparison        fec2        hppv        fee      1.00000     0.66667     0.66667  -156.48070  -166.75358   38
Found three species comparison        fec2        lppv        fea      1.00000     0.66667     0.66667  -146.30432  -166.75358   39
Found three species comparison        fec2        lppv        feg      1.00000     0.66667     0.66667  -146.33893  -166.75358   40
Found three species comparison        fec2        lppv        fee      1.00000     0.66667     0.66667  -146.16637  -166.75358   41
  Found two species comparison        fec2        wu       1.00000     0.50000  -163.94927  -166.75358   42
  Found two species comparison        fec2        wuls     1.00000     0.50000  -149.76946  -166.75358   43
Found three species comparison        fec2        mag         fea      1.00000     0.50000     0.50000  -161.71636  -166.75358   44
Found three species comparison        fec2        mag         feg      1.00000     0.50000     0.50000  -161.74232  -166.75358   45
Found three species comparison        fec2        mag         fee      1.00000     0.50000     0.50000  -161.61290  -166.75358   46
Found three species comparison        fec2        hmag        fea      1.00000     0.50000     0.50000  -162.28509  -166.75358   47
Found three species comparison        fec2        hmag        feg      1.00000     0.50000     0.50000  -162.31104  -166.75358   48
Found three species comparison        fec2        hmag        fee      1.00000     0.50000     0.50000  -162.18162  -166.75358   49
Found three species comparison        feil        hem         fea      2.00000     0.66667     0.66667  -162.53022  -166.75358   50
Found three species comparison        feil        hem         feg      2.00000     0.66667     0.66667  -162.56483  -166.75358   51
Found three species comparison        feil        hem         fee      2.00000     0.66667     0.66667  -162.39227  -166.75358   52
Found three species comparison        feil        hepv        fea      2.00000     0.66667     0.66667  -159.20025  -166.75358   53
Found three species comparison        feil        hepv        feg      2.00000     0.66667     0.66667  -159.23486  -166.75358   54
Found three species comparison        feil        hepv        fee      2.00000     0.66667     0.66667  -159.06230  -166.75358   55
Found three species comparison        feil        hlpv        fea      2.00000     0.66667     0.66667  -154.55586  -166.75358   56
Found three species comparison        feil        hlpv        feg      2.00000     0.66667     0.66667  -154.59047  -166.75358   57
Found three species comparison        feil        hlpv        fee      2.00000     0.66667     0.66667  -154.41791  -166.75358   58
Found three species comparison        feil        hppv        fea      2.00000     0.66667     0.66667  -155.89664  -166.75358   59
Found three species comparison        feil        hppv        feg      2.00000     0.66667     0.66667  -155.93125  -166.75358   60
Found three species comparison        feil        hppv        fee      2.00000     0.66667     0.66667  -155.75869  -166.75358   61
Found three species comparison        feil        lppv        fea      2.00000     0.66667     0.66667  -145.58232  -166.75358   62
Found three species comparison        feil        lppv        feg      2.00000     0.66667     0.66667  -145.61692  -166.75358   63
Found three species comparison        feil        lppv        fee      2.00000     0.66667     0.66667  -145.44436  -166.75358   64
  Found two species comparison        feil        wu       2.00000     0.50000  -163.22726  -166.75358   65
  Found two species comparison        feil        wuls     2.00000     0.50000  -149.04746  -166.75358   66
Found three species comparison        feil        mag         fea      2.00000     0.50000     0.50000  -160.99435  -166.75358   67
Found three species comparison        feil        mag         feg      2.00000     0.50000     0.50000  -161.02031  -166.75358   68
Found three species comparison        feil        mag         fee      2.00000     0.50000     0.50000  -160.89089  -166.75358   69
Found three species comparison        feil        hmag        fea      2.00000     0.50000     0.50000  -161.56308  -166.75358   70
Found three species comparison        feil        hmag        feg      2.00000     0.50000     0.50000  -161.58903  -166.75358   71
Found three species comparison        feil        hmag        fee      2.00000     0.50000     0.50000  -161.45961  -166.75358   72
Found three species comparison        hem         qtz         fea      1.33333     2.00000     1.33333  -151.82247  -166.75358   73
Found three species comparison        hem         qtz         feg      1.33333     2.00000     1.33333  -151.89169  -166.75358   74
Found three species comparison        hem         qtz         fee      1.33333     2.00000     1.33333  -151.54657  -166.75358   75
Found three species comparison        hem         coes        fea      1.33333     2.00000     1.33333  -153.97997  -166.75358   76
Found three species comparison        hem         coes        feg      1.33333     2.00000     1.33333  -154.04919  -166.75358   77
Found three species comparison        hem         coes        fee      1.33333     2.00000     1.33333  -153.70407  -166.75358   78
Found three species comparison        hem         st          fea      1.33333     2.00000     1.33333  -158.68733  -166.75358   79
Found three species comparison        hem         st          feg      1.33333     2.00000     1.33333  -158.75654  -166.75358   80
Found three species comparison        hem         st          fee      1.33333     2.00000     1.33333  -158.41142  -166.75358   81
Found three species comparison        hem         apbo        fea      1.33333     2.00000     1.33333  -155.58174  -166.75358   82
Found three species comparison        hem         apbo        feg      1.33333     2.00000     1.33333  -155.65096  -166.75358   83
Found three species comparison        hem         apbo        fee      1.33333     2.00000     1.33333  -155.30583  -166.75358   84
Found three species comparison        hem         fepv        fea      0.66667     2.00000     0.66667  -157.31630  -166.75358   85
Found three species comparison        hem         fepv        feg      0.66667     2.00000     0.66667  -157.35090  -166.75358   86
Found three species comparison        hem         fepv        fee      0.66667     2.00000     0.66667  -157.17834  -166.75358   87
Found three species comparison        hem         flpv        fea      0.66667     2.00000     0.66667  -139.02465  -166.75358   88
Found three species comparison        hem         flpv        feg      0.66667     2.00000     0.66667  -139.05926  -166.75358   89
Found three species comparison        hem         flpv        fee      0.66667     2.00000     0.66667  -138.88670  -166.75358   90
Found three species comparison        hem         fppv        fea      0.66667     2.00000     0.66667  -154.25445  -166.75358   91
Found three species comparison        hem         fppv        feg      0.66667     2.00000     0.66667  -154.28906  -166.75358   92
Found three species comparison        hem         fppv        fee      0.66667     2.00000     0.66667  -154.11650  -166.75358   93
Found three species comparison        qtz         hepv        fea      2.00000     1.33333     1.33333  -151.83471  -166.75358   94
Found three species comparison        qtz         hepv        feg      2.00000     1.33333     1.33333  -151.90393  -166.75358   95
Found three species comparison        qtz         hepv        fee      2.00000     1.33333     1.33333  -151.55881  -166.75358   96
Found three species comparison        qtz         hlpv        fea      2.00000     1.33333     1.33333  -142.54594  -166.75358   97
Found three species comparison        qtz         hlpv        feg      2.00000     1.33333     1.33333  -142.61515  -166.75358   98
Found three species comparison        qtz         hlpv        fee      2.00000     1.33333     1.33333  -142.27003  -166.75358   99
Found three species comparison        qtz         hppv        fea      2.00000     1.33333     1.33333  -145.22750  -166.75358  100
Found three species comparison        qtz         hppv        feg      2.00000     1.33333     1.33333  -145.29672  -166.75358  101
Found three species comparison        qtz         hppv        fee      2.00000     1.33333     1.33333  -144.95160  -166.75358  102
Found three species comparison        qtz         lppv        fea      2.00000     1.33333     1.33333  -124.59885  -166.75358  103
Found three species comparison        qtz         lppv        feg      2.00000     1.33333     1.33333  -124.66807  -166.75358  104
Found three species comparison        qtz         lppv        fee      2.00000     1.33333     1.33333  -124.32295  -166.75358  105
  Found two species comparison        qtz         wu       2.00000     1.00000  -159.88873  -166.75358  106
  Found two species comparison        qtz         wuls     2.00000     1.00000  -131.52913  -166.75358  107
Found three species comparison        qtz         mag         fea      2.00000     1.00000     1.00000  -155.42292  -166.75358  108
Found three species comparison        qtz         mag         feg      2.00000     1.00000     1.00000  -155.47484  -166.75358  109
Found three species comparison        qtz         mag         fee      2.00000     1.00000     1.00000  -155.21600  -166.75358  110
Found three species comparison        qtz         hmag        fea      2.00000     1.00000     1.00000  -156.56038  -166.75358  111
Found three species comparison        qtz         hmag        feg      2.00000     1.00000     1.00000  -156.61229  -166.75358  112
Found three species comparison        qtz         hmag        fee      2.00000     1.00000     1.00000  -156.35345  -166.75358  113
Found three species comparison        coes        hepv        fea      2.00000     1.33333     1.33333  -153.99221  -166.75358  114
Found three species comparison        coes        hepv        feg      2.00000     1.33333     1.33333  -154.06143  -166.75358  115
Found three species comparison        coes        hepv        fee      2.00000     1.33333     1.33333  -153.71631  -166.75358  116
Found three species comparison        coes        hlpv        fea      2.00000     1.33333     1.33333  -144.70344  -166.75358  117
Found three species comparison        coes        hlpv        feg      2.00000     1.33333     1.33333  -144.77265  -166.75358  118
Found three species comparison        coes        hlpv        fee      2.00000     1.33333     1.33333  -144.42753  -166.75358  119
Found three species comparison        coes        hppv        fea      2.00000     1.33333     1.33333  -147.38500  -166.75358  120
Found three species comparison        coes        hppv        feg      2.00000     1.33333     1.33333  -147.45421  -166.75358  121
Found three species comparison        coes        hppv        fee      2.00000     1.33333     1.33333  -147.10909  -166.75358  122
Found three species comparison        coes        lppv        fea      2.00000     1.33333     1.33333  -126.75635  -166.75358  123
Found three species comparison        coes        lppv        feg      2.00000     1.33333     1.33333  -126.82556  -166.75358  124
Found three species comparison        coes        lppv        fee      2.00000     1.33333     1.33333  -126.48044  -166.75358  125
  Found two species comparison        coes        wu       2.00000     1.00000  -162.04623  -166.75358  126
  Found two species comparison        coes        wuls     2.00000     1.00000  -133.68663  -166.75358  127
Found three species comparison        coes        mag         fea      2.00000     1.00000     1.00000  -157.58042  -166.75358  128
Found three species comparison        coes        mag         feg      2.00000     1.00000     1.00000  -157.63234  -166.75358  129
Found three species comparison        coes        mag         fee      2.00000     1.00000     1.00000  -157.37349  -166.75358  130
Found three species comparison        coes        hmag        fea      2.00000     1.00000     1.00000  -158.71787  -166.75358  131
Found three species comparison        coes        hmag        feg      2.00000     1.00000     1.00000  -158.76979  -166.75358  132
Found three species comparison        coes        hmag        fee      2.00000     1.00000     1.00000  -158.51095  -166.75358  133
Found three species comparison        st          hepv        fea      2.00000     1.33333     1.33333  -158.69957  -166.75358  134
Found three species comparison        st          hepv        feg      2.00000     1.33333     1.33333  -158.76878  -166.75358  135
Found three species comparison        st          hepv        fee      2.00000     1.33333     1.33333  -158.42366  -166.75358  136
Found three species comparison        st          hlpv        fea      2.00000     1.33333     1.33333  -149.41079  -166.75358  137
Found three species comparison        st          hlpv        feg      2.00000     1.33333     1.33333  -149.48001  -166.75358  138
Found three species comparison        st          hlpv        fee      2.00000     1.33333     1.33333  -149.13488  -166.75358  139
Found three species comparison        st          hppv        fea      2.00000     1.33333     1.33333  -152.09235  -166.75358  140
Found three species comparison        st          hppv        feg      2.00000     1.33333     1.33333  -152.16157  -166.75358  141
Found three species comparison        st          hppv        fee      2.00000     1.33333     1.33333  -151.81645  -166.75358  142
Found three species comparison        st          lppv        fea      2.00000     1.33333     1.33333  -131.46370  -166.75358  143
Found three species comparison        st          lppv        feg      2.00000     1.33333     1.33333  -131.53292  -166.75358  144
Found three species comparison        st          lppv        fee      2.00000     1.33333     1.33333  -131.18780  -166.75358  145
  Found two species comparison        st          wu       2.00000     1.00000  -166.75358  -166.75358  146
  Found two species comparison        st          wuls     2.00000     1.00000  -138.39398  -166.75358  147
Found three species comparison        st          mag         fea      2.00000     1.00000     1.00000  -162.28778  -166.75358  148
Found three species comparison        st          mag         feg      2.00000     1.00000     1.00000  -162.33969  -166.75358  149
Found three species comparison        st          mag         fee      2.00000     1.00000     1.00000  -162.08085  -166.75358  150
Found three species comparison        st          hmag        fea      2.00000     1.00000     1.00000  -163.42523  -166.75358  151
Found three species comparison        st          hmag        feg      2.00000     1.00000     1.00000  -163.47714  -166.75358  152
Found three species comparison        st          hmag        fee      2.00000     1.00000     1.00000  -163.21830  -166.75358  153
Found three species comparison        apbo        hepv        fea      2.00000     1.33333     1.33333  -155.59398  -166.75358  154
Found three species comparison        apbo        hepv        feg      2.00000     1.33333     1.33333  -155.66320  -166.75358  155
Found three species comparison        apbo        hepv        fee      2.00000     1.33333     1.33333  -155.31807  -166.75358  156
Found three species comparison        apbo        hlpv        fea      2.00000     1.33333     1.33333  -146.30520  -166.75358  157
Found three species comparison        apbo        hlpv        feg      2.00000     1.33333     1.33333  -146.37442  -166.75358  158
Found three species comparison        apbo        hlpv        fee      2.00000     1.33333     1.33333  -146.02930  -166.75358  159
Found three species comparison        apbo        hppv        fea      2.00000     1.33333     1.33333  -148.98676  -166.75358  160
Found three species comparison        apbo        hppv        feg      2.00000     1.33333     1.33333  -149.05598  -166.75358  161
Found three species comparison        apbo        hppv        fee      2.00000     1.33333     1.33333  -148.71086  -166.75358  162
Found three species comparison        apbo        lppv        fea      2.00000     1.33333     1.33333  -128.35811  -166.75358  163
Found three species comparison        apbo        lppv        feg      2.00000     1.33333     1.33333  -128.42733  -166.75358  164
Found three species comparison        apbo        lppv        fee      2.00000     1.33333     1.33333  -128.08221  -166.75358  165
  Found two species comparison        apbo        wu       2.00000     1.00000  -163.64800  -166.75358  166
  Found two species comparison        apbo        wuls     2.00000     1.00000  -135.28839  -166.75358  167
Found three species comparison        apbo        mag         fea      2.00000     1.00000     1.00000  -159.18219  -166.75358  168
Found three species comparison        apbo        mag         feg      2.00000     1.00000     1.00000  -159.23410  -166.75358  169
Found three species comparison        apbo        mag         fee      2.00000     1.00000     1.00000  -158.97526  -166.75358  170
Found three species comparison        apbo        hmag        fea      2.00000     1.00000     1.00000  -160.31964  -166.75358  171
Found three species comparison        apbo        hmag        feg      2.00000     1.00000     1.00000  -160.37155  -166.75358  172
Found three species comparison        apbo        hmag        fee      2.00000     1.00000     1.00000  -160.11271  -166.75358  173
Found three species comparison        fepv        hepv        fea      2.00000     0.66667     0.66667  -160.65851  -166.75358  174
Found three species comparison        fepv        hepv        feg      2.00000     0.66667     0.66667  -160.69312  -166.75358  175
Found three species comparison        fepv        hepv        fee      2.00000     0.66667     0.66667  -160.52056  -166.75358  176
Found three species comparison        fepv        hlpv        fea      2.00000     0.66667     0.66667  -156.01412  -166.75358  177
Found three species comparison        fepv        hlpv        feg      2.00000     0.66667     0.66667  -156.04873  -166.75358  178
Found three species comparison        fepv        hlpv        fee      2.00000     0.66667     0.66667  -155.87617  -166.75358  179
Found three species comparison        fepv        hppv        fea      2.00000     0.66667     0.66667  -154.01881  -166.75358  180
Found three species comparison        fepv        hppv        feg      2.00000     0.66667     0.66667  -154.05342  -166.75358  181
Found three species comparison        fepv        hppv        fee      2.00000     0.66667     0.66667  -153.88086  -166.75358  182
Found three species comparison        fepv        lppv        fea      2.00000     0.66667     0.66667  -143.70448  -166.75358  183
Found three species comparison        fepv        lppv        feg      2.00000     0.66667     0.66667  -143.73909  -166.75358  184
Found three species comparison        fepv        lppv        fee      2.00000     0.66667     0.66667  -143.56653  -166.75358  185
  Found two species comparison        fepv        wu       2.00000     0.50000  -161.34943  -166.75358  186
  Found two species comparison        fepv        wuls     2.00000     0.50000  -147.16962  -166.75358  187
Found three species comparison        fepv        mag         fea      2.00000     0.50000     0.50000  -159.11652  -166.75358  188
Found three species comparison        fepv        mag         feg      2.00000     0.50000     0.50000  -159.14248  -166.75358  189
Found three species comparison        fepv        mag         fee      2.00000     0.50000     0.50000  -159.01306  -166.75358  190
Found three species comparison        fepv        hmag        fea      2.00000     0.50000     0.50000  -159.68525  -166.75358  191
Found three species comparison        fepv        hmag        feg      2.00000     0.50000     0.50000  -159.71120  -166.75358  192
Found three species comparison        fepv        hmag        fee      2.00000     0.50000     0.50000  -159.58178  -166.75358  193
Found three species comparison        hepv        flpv        fea      0.66667     2.00000     0.66667  -142.36687  -166.75358  194
Found three species comparison        hepv        flpv        feg      0.66667     2.00000     0.66667  -142.40148  -166.75358  195
Found three species comparison        hepv        flpv        fee      0.66667     2.00000     0.66667  -142.22891  -166.75358  196
Found three species comparison        hepv        fppv        fea      0.66667     2.00000     0.66667  -154.26057  -166.75358  197
Found three species comparison        hepv        fppv        feg      0.66667     2.00000     0.66667  -154.29518  -166.75358  198
Found three species comparison        hepv        fppv        fee      0.66667     2.00000     0.66667  -154.12262  -166.75358  199
Found three species comparison        hlpv        flpv        fea      0.66667     2.00000     0.66667  -137.72248  -166.75358  200
Found three species comparison        hlpv        flpv        feg      0.66667     2.00000     0.66667  -137.75709  -166.75358  201
Found three species comparison        hlpv        flpv        fee      0.66667     2.00000     0.66667  -137.58453  -166.75358  202
Found three species comparison        hlpv        fppv        fea      0.66667     2.00000     0.66667  -149.61618  -166.75358  203
Found three species comparison        hlpv        fppv        feg      0.66667     2.00000     0.66667  -149.65079  -166.75358  204
Found three species comparison        hlpv        fppv        fee      0.66667     2.00000     0.66667  -149.47823  -166.75358  205
Found three species comparison        flpv        hppv        fea      2.00000     0.66667     0.66667  -135.72716  -166.75358  206
Found three species comparison        flpv        hppv        feg      2.00000     0.66667     0.66667  -135.76177  -166.75358  207
Found three species comparison        flpv        hppv        fee      2.00000     0.66667     0.66667  -135.58921  -166.75358  208
Found three species comparison        flpv        lppv        fea      2.00000     0.66667     0.66667  -125.41284  -166.75358  209
Found three species comparison        flpv        lppv        feg      2.00000     0.66667     0.66667  -125.44745  -166.75358  210
Found three species comparison        flpv        lppv        fee      2.00000     0.66667     0.66667  -125.27489  -166.75358  211
  Found two species comparison        flpv        wu       2.00000     0.50000  -143.05778  -166.75358  212
  Found two species comparison        flpv        wuls     2.00000     0.50000  -128.87798  -166.75358  213
Found three species comparison        flpv        mag         fea      2.00000     0.50000     0.50000  -140.82488  -166.75358  214
Found three species comparison        flpv        mag         feg      2.00000     0.50000     0.50000  -140.85083  -166.75358  215
Found three species comparison        flpv        mag         fee      2.00000     0.50000     0.50000  -140.72141  -166.75358  216
Found three species comparison        flpv        hmag        fea      2.00000     0.50000     0.50000  -141.39360  -166.75358  217
Found three species comparison        flpv        hmag        feg      2.00000     0.50000     0.50000  -141.41956  -166.75358  218
Found three species comparison        flpv        hmag        fee      2.00000     0.50000     0.50000  -141.29014  -166.75358  219
Found three species comparison        fppv        hppv        fea      2.00000     0.66667     0.66667  -153.04306  -166.75358  220
Found three species comparison        fppv        hppv        feg      2.00000     0.66667     0.66667  -153.07766  -166.75358  221
Found three species comparison        fppv        hppv        fee      2.00000     0.66667     0.66667  -152.90510  -166.75358  222
Found three species comparison        fppv        lppv        fea      2.00000     0.66667     0.66667  -143.97873  -166.75358  223
Found three species comparison        fppv        lppv        feg      2.00000     0.66667     0.66667  -144.01334  -166.75358  224
Found three species comparison        fppv        lppv        fee      2.00000     0.66667     0.66667  -143.84078  -166.75358  225
  Found two species comparison        fppv        wu       2.00000     0.50000  -158.28758  -166.75358  226
  Found two species comparison        fppv        wuls     2.00000     0.50000  -144.10778  -166.75358  227
Found three species comparison        fppv        mag         fea      2.00000     0.50000     0.50000  -156.05467  -166.75358  228
Found three species comparison        fppv        mag         feg      2.00000     0.50000     0.50000  -156.08063  -166.75358  229
Found three species comparison        fppv        mag         fee      2.00000     0.50000     0.50000  -155.95121  -166.75358  230
Found three species comparison        fppv        hmag        fea      2.00000     0.50000     0.50000  -156.62340  -166.75358  231
Found three species comparison        fppv        hmag        feg      2.00000     0.50000     0.50000  -156.64936  -166.75358  232
Found three species comparison        fppv        hmag        fee      2.00000     0.50000     0.50000  -156.51994  -166.75358  233
 103 wuwulsapbo        40.00   0.00  40.00   0.00   0.00   0.00 120.00
Number of non-zero components,phases,Gapp    3    2       366.23539       149.00000      2000.00000
  Found two species comparison        fa          qtz     20.00000    20.00000   461.36708   366.23539    1
  Found two species comparison        fa          coes    20.00000    20.00000   454.12334   366.23539    2
  Found two species comparison        fa          st      20.00000    20.00000   431.02904   366.23539    3
  Found two species comparison        fa          apbo    20.00000    20.00000   430.53627   366.23539    4
  Found two species comparison        fewa        qtz     20.00000    20.00000   432.95995   366.23539    5
  Found two species comparison        fewa        coes    20.00000    20.00000   425.71621   366.23539    6
  Found two species comparison        fewa        st      20.00000    20.00000   402.62191   366.23539    7
  Found two species comparison        fewa        apbo    20.00000    20.00000   402.12914   366.23539    8
  Found two species comparison        feri        qtz     20.00000    20.00000   438.99084   366.23539    9
  Found two species comparison        feri        coes    20.00000    20.00000   431.74709   366.23539   10
  Found two species comparison        feri        st      20.00000    20.00000   408.65280   366.23539   11
  Found two species comparison        feri        apbo    20.00000    20.00000   408.16003   366.23539   12
  Found one species comparison        fs      20.00000   470.37900   366.23539   13
  Found one species comparison        fec2    20.00000   457.08072   366.23539   14
  Found one species comparison        feil    40.00000   390.43472   366.23539   15
Found three species comparison        hem         qtz         fea     13.33333    40.00000    13.33333   452.44013   366.23539   16
Found three species comparison        hem         qtz         feg     13.33333    40.00000    13.33333   450.57270   366.23539   17
Found three species comparison        hem         qtz         fee     13.33333    40.00000    13.33333   449.13963   366.23539   18
Found three species comparison        hem         coes        fea     13.33333    40.00000    13.33333   437.95264   366.23539   19
Found three species comparison        hem         coes        feg     13.33333    40.00000    13.33333   436.08521   366.23539   20
Found three species comparison        hem         coes        fee     13.33333    40.00000    13.33333   434.65214   366.23539   21
Found three species comparison        hem         st          fea     13.33333    40.00000    13.33333   391.76406   366.23539   22
Found three species comparison        hem         st          feg     13.33333    40.00000    13.33333   389.89663   366.23539   23
Found three species comparison        hem         st          fee     13.33333    40.00000    13.33333   388.46356   366.23539   24
Found three species comparison        hem         apbo        fea     13.33333    40.00000    13.33333   390.77852   366.23539   25
Found three species comparison        hem         apbo        feg     13.33333    40.00000    13.33333   388.91109   366.23539   26
Found three species comparison        hem         apbo        fee     13.33333    40.00000    13.33333   387.47802   366.23539   27
Found three species comparison        qtz         hepv        fea     40.00000    13.33333    13.33333   443.32818   366.23539   28
Found three species comparison        qtz         hepv        feg     40.00000    13.33333    13.33333   441.46075   366.23539   29
Found three species comparison        qtz         hepv        fee     40.00000    13.33333    13.33333   440.02768   366.23539   30
Found three species comparison        qtz         hlpv        fea     40.00000    13.33333    13.33333   440.52786   366.23539   31
Found three species comparison        qtz         hlpv        feg     40.00000    13.33333    13.33333   438.66043   366.23539   32
Found three species comparison        qtz         hlpv        fee     40.00000    13.33333    13.33333   437.22736   366.23539   33
Found three species comparison        qtz         hppv        fea     40.00000    13.33333    13.33333   435.28749   366.23539   34
Found three species comparison        qtz         hppv        feg     40.00000    13.33333    13.33333   433.42006   366.23539   35
Found three species comparison        qtz         hppv        fee     40.00000    13.33333    13.33333   431.98699   366.23539   36
Found three species comparison        qtz         lppv        fea     40.00000    13.33333    13.33333   440.11083   366.23539   37
Found three species comparison        qtz         lppv        feg     40.00000    13.33333    13.33333   438.24340   366.23539   38
Found three species comparison        qtz         lppv        fee     40.00000    13.33333    13.33333   436.81033   366.23539   39
  Found two species comparison        qtz         wu      40.00000    10.00000   431.16125   366.23539   40
  Found two species comparison        qtz         wuls    40.00000    10.00000   430.65572   366.23539   41
Found three species comparison        qtz         mag         fea     40.00000    10.00000    10.00000   459.11284   366.23539   42
Found three species comparison        qtz         mag         feg     40.00000    10.00000    10.00000   457.71226   366.23539   43
Found three species comparison        qtz         mag         fee     40.00000    10.00000    10.00000   456.63746   366.23539   44
Found three species comparison        qtz         hmag        fea     40.00000    10.00000    10.00000   438.08777   366.23539   45
Found three species comparison        qtz         hmag        feg     40.00000    10.00000    10.00000   436.68720   366.23539   46
Found three species comparison        qtz         hmag        fee     40.00000    10.00000    10.00000   435.61240   366.23539   47
Found three species comparison        coes        hepv        fea     40.00000    13.33333    13.33333   428.84069   366.23539   48
Found three species comparison        coes        hepv        feg     40.00000    13.33333    13.33333   426.97326   366.23539   49
Found three species comparison        coes        hepv        fee     40.00000    13.33333    13.33333   425.54019   366.23539   50
Found three species comparison        coes        hlpv        fea     40.00000    13.33333    13.33333   426.04037   366.23539   51
Found three species comparison        coes        hlpv        feg     40.00000    13.33333    13.33333   424.17294   366.23539   52
Found three species comparison        coes        hlpv        fee     40.00000    13.33333    13.33333   422.73987   366.23539   53
Found three species comparison        coes        hppv        fea     40.00000    13.33333    13.33333   420.79999   366.23539   54
Found three species comparison        coes        hppv        feg     40.00000    13.33333    13.33333   418.93256   366.23539   55
Found three species comparison        coes        hppv        fee     40.00000    13.33333    13.33333   417.49949   366.23539   56
Found three species comparison        coes        lppv        fea     40.00000    13.33333    13.33333   425.62333   366.23539   57
Found three species comparison        coes        lppv        feg     40.00000    13.33333    13.33333   423.75590   366.23539   58
Found three species comparison        coes        lppv        fee     40.00000    13.33333    13.33333   422.32283   366.23539   59
  Found two species comparison        coes        wu      40.00000    10.00000   416.67376   366.23539   60
  Found two species comparison        coes        wuls    40.00000    10.00000   416.16822   366.23539   61
Found three species comparison        coes        mag         fea     40.00000    10.00000    10.00000   444.62534   366.23539   62
Found three species comparison        coes        mag         feg     40.00000    10.00000    10.00000   443.22477   366.23539   63
Found three species comparison        coes        mag         fee     40.00000    10.00000    10.00000   442.14997   366.23539   64
Found three species comparison        coes        hmag        fea     40.00000    10.00000    10.00000   423.60028   366.23539   65
Found three species comparison        coes        hmag        feg     40.00000    10.00000    10.00000   422.19971   366.23539   66
Found three species comparison        coes        hmag        fee     40.00000    10.00000    10.00000   421.12490   366.23539   67
Found three species comparison        st          hepv        fea     40.00000    13.33333    13.33333   382.65211   366.23539   68
Found three species comparison        st          hepv        feg     40.00000    13.33333    13.33333   380.78468   366.23539   69
Found three species comparison        st          hepv        fee     40.00000    13.33333    13.33333   379.35161   366.23539   70
Found three species comparison        st          hlpv        fea     40.00000    13.33333    13.33333   379.85178   366.23539   71
Found three species comparison        st          hlpv        feg     40.00000    13.33333    13.33333   377.98435   366.23539   72
Found three species comparison        st          hlpv        fee     40.00000    13.33333    13.33333   376.55128   366.23539   73
Found three species comparison        st          hppv        fea     40.00000    13.33333    13.33333   374.61141   366.23539   74
Found three species comparison        st          hppv        feg     40.00000    13.33333    13.33333   372.74398   366.23539   75
Found three species comparison        st          hppv        fee     40.00000    13.33333    13.33333   371.31091   366.23539   76
Found three species comparison        st          lppv        fea     40.00000    13.33333    13.33333   379.43475   366.23539   77
Found three species comparison        st          lppv        feg     40.00000    13.33333    13.33333   377.56732   366.23539   78
Found three species comparison        st          lppv        fee     40.00000    13.33333    13.33333   376.13425   366.23539   79
  Found two species comparison        st          wu      40.00000    10.00000   370.48517   366.23539   80
  Found two species comparison        st          wuls    40.00000    10.00000   369.97964   366.23539   81
Found three species comparison        st          mag         fea     40.00000    10.00000    10.00000   398.43676   366.23539   82
Found three species comparison        st          mag         feg     40.00000    10.00000    10.00000   397.03619   366.23539   83
Found three species comparison        st          mag         fee     40.00000    10.00000    10.00000   395.96138   366.23539   84
Found three species comparison        st          hmag        fea     40.00000    10.00000    10.00000   377.41169   366.23539   85
Found three species comparison        st          hmag        feg     40.00000    10.00000    10.00000   376.01112   366.23539   86
Found three species comparison        st          hmag        fee     40.00000    10.00000    10.00000   374.93632   366.23539   87
Found three species comparison        apbo        hepv        fea     40.00000    13.33333    13.33333   381.66657   366.23539   88
Found three species comparison        apbo        hepv        feg     40.00000    13.33333    13.33333   379.79914   366.23539   89
Found three species comparison        apbo        hepv        fee     40.00000    13.33333    13.33333   378.36607   366.23539   90
Found three species comparison        apbo        hlpv        fea     40.00000    13.33333    13.33333   378.86624   366.23539   91
Found three species comparison        apbo        hlpv        feg     40.00000    13.33333    13.33333   376.99881   366.23539   92
Found three species comparison        apbo        hlpv        fee     40.00000    13.33333    13.33333   375.56574   366.23539   93
Found three species comparison        apbo        hppv        fea     40.00000    13.33333    13.33333   373.62587   366.23539   94
Found three species comparison        apbo        hppv        feg     40.00000    13.33333    13.33333   371.75844   366.23539   95
Found three species comparison        apbo        hppv        fee     40.00000    13.33333    13.33333   370.32537   366.23539   96
Found three species comparison        apbo        lppv        fea     40.00000    13.33333    13.33333   378.44921   366.23539   97
Found three species comparison        apbo        lppv        feg     40.00000    13.33333    13.33333   376.58178   366.23539   98
Found three species comparison        apbo        lppv        fee     40.00000    13.33333    13.33333   375.14871   366.23539   99
  Found two species comparison        apbo        wu      40.00000    10.00000   369.49963   366.23539  100
  Found two species comparison        apbo        wuls    40.00000    10.00000   368.99410   366.23539  101
Found three species comparison        apbo        mag         fea     40.00000    10.00000    10.00000   397.45122   366.23539  102
Found three species comparison        apbo        mag         feg     40.00000    10.00000    10.00000   396.05065   366.23539  103
Found three species comparison        apbo        mag         fee     40.00000    10.00000    10.00000   394.97584   366.23539  104
Found three species comparison        apbo        hmag        fea     40.00000    10.00000    10.00000   376.42615   366.23539  105
Found three species comparison        apbo        hmag        feg     40.00000    10.00000    10.00000   375.02558   366.23539  106
Found three species comparison        apbo        hmag        fee     40.00000    10.00000    10.00000   373.95078   366.23539  107
  Found one species comparison        fepv    40.00000   373.81485   366.23539  108
  Found one species comparison        flpv    40.00000   392.04756   366.23539  109
  Found one species comparison        fppv    40.00000   367.09564   366.23539  110
 104 wuwulsst          40.00   0.00  40.00   0.00   0.00   0.00 120.00
Number of non-zero components,phases,Gapp    3    2       244.28636       117.00000      2000.00000
  Found two species comparison        fa          qtz     20.00000    20.00000   320.12861   244.28636    1
  Found two species comparison        fa          coes    20.00000    20.00000   317.25106   244.28636    2
  Found two species comparison        fa          st      20.00000    20.00000   294.17193   244.28636    3
  Found two species comparison        fa          apbo    20.00000    20.00000   294.17416   244.28636    4
  Found two species comparison        fewa        qtz     20.00000    20.00000   297.64672   244.28636    5
  Found two species comparison        fewa        coes    20.00000    20.00000   294.76917   244.28636    6
  Found two species comparison        fewa        st      20.00000    20.00000   271.69003   244.28636    7
  Found two species comparison        fewa        apbo    20.00000    20.00000   271.69226   244.28636    8
  Found two species comparison        feri        qtz     20.00000    20.00000   300.98894   244.28636    9
  Found two species comparison        feri        coes    20.00000    20.00000   298.11138   244.28636   10
  Found two species comparison        feri        st      20.00000    20.00000   275.03225   244.28636   11
  Found two species comparison        feri        apbo    20.00000    20.00000   275.03448   244.28636   12
  Found one species comparison        fs      20.00000   323.15043   244.28636   13
  Found one species comparison        fec2    20.00000   314.22458   244.28636   14
  Found one species comparison        feil    40.00000   261.03779   244.28636   15
Found three species comparison        hem         qtz         fea     13.33333    40.00000    13.33333   315.11657   244.28636   16
Found three species comparison        hem         qtz         feg     13.33333    40.00000    13.33333   313.38499   244.28636   17
Found three species comparison        hem         qtz         fee     13.33333    40.00000    13.33333   312.49926   244.28636   18
Found three species comparison        hem         coes        fea     13.33333    40.00000    13.33333   309.36146   244.28636   19
Found three species comparison        hem         coes        feg     13.33333    40.00000    13.33333   307.62988   244.28636   20
Found three species comparison        hem         coes        fee     13.33333    40.00000    13.33333   306.74415   244.28636   21
Found three species comparison        hem         st          fea     13.33333    40.00000    13.33333   263.20320   244.28636   22
Found three species comparison        hem         st          feg     13.33333    40.00000    13.33333   261.47162   244.28636   23
Found three species comparison        hem         st          fee     13.33333    40.00000    13.33333   260.58588   244.28636   24
Found three species comparison        hem         apbo        fea     13.33333    40.00000    13.33333   263.20766   244.28636   25
Found three species comparison        hem         apbo        feg     13.33333    40.00000    13.33333   261.47608   244.28636   26
Found three species comparison        hem         apbo        fee     13.33333    40.00000    13.33333   260.59034   244.28636   27
Found three species comparison        qtz         hepv        fea     40.00000    13.33333    13.33333   309.04447   244.28636   28
Found three species comparison        qtz         hepv        feg     40.00000    13.33333    13.33333   307.31288   244.28636   29
Found three species comparison        qtz         hepv        fee     40.00000    13.33333    13.33333   306.42715   244.28636   30
Found three species comparison        qtz         hlpv        fea     40.00000    13.33333    13.33333   307.30233   244.28636   31
Found three species comparison        qtz         hlpv        feg     40.00000    13.33333    13.33333   305.57075   244.28636   32
Found three species comparison        qtz         hlpv        fee     40.00000    13.33333    13.33333   304.68502   244.28636   33
Found three species comparison        qtz         hppv        fea     40.00000    13.33333    13.33333   303.22161   244.28636   34
Found three species comparison        qtz         hppv        feg     40.00000    13.33333    13.33333   301.49003   244.28636   35
Found three species comparison        qtz         hppv        fee     40.00000    13.33333    13.33333   300.60430   244.28636   36
Found three species comparison        qtz         lppv        fea     40.00000    13.33333    13.33333   310.17903   244.28636   37
Found three species comparison        qtz         lppv        feg     40.00000    13.33333    13.33333   308.44745   244.28636   38
Found three species comparison        qtz         lppv        fee     40.00000    13.33333    13.33333   307.56172   244.28636   39
  Found two species comparison        qtz         wu      40.00000    10.00000   297.76991   244.28636   40
  Found two species comparison        qtz         wuls    40.00000    10.00000   301.24678   244.28636   41
Found three species comparison        qtz         mag         fea     40.00000    10.00000    10.00000   319.11944   244.28636   42
Found three species comparison        qtz         mag         feg     40.00000    10.00000    10.00000   317.82076   244.28636   43
Found three species comparison        qtz         mag         fee     40.00000    10.00000    10.00000   317.15646   244.28636   44
Found three species comparison        qtz         hmag        fea     40.00000    10.00000    10.00000   303.62036   244.28636   45
Found three species comparison        qtz         hmag        feg     40.00000    10.00000    10.00000   302.32167   244.28636   46
Found three species comparison        qtz         hmag        fee     40.00000    10.00000    10.00000   301.65737   244.28636   47
Found three species comparison        coes        hepv        fea     40.00000    13.33333    13.33333   303.28935   244.28636   48
Found three species comparison        coes        hepv        feg     40.00000    13.33333    13.33333   301.55777   244.28636   49
Found three species comparison        coes        hepv        fee     40.00000    13.33333    13.33333   300.67204   244.28636   50
Found three species comparison        coes        hlpv        fea     40.00000    13.33333    13.33333   301.54722   244.28636   51
Found three species comparison        coes        hlpv        feg     40.00000    13.33333    13.33333   299.81564   244.28636   52
Found three species comparison        coes        hlpv        fee     40.00000    13.33333    13.33333   298.92990   244.28636   53
Found three species comparison        coes        hppv        fea     40.00000    13.33333    13.33333   297.46650   244.28636   54
Found three species comparison        coes        hppv        feg     40.00000    13.33333    13.33333   295.73492   244.28636   55
Found three species comparison        coes        hppv        fee     40.00000    13.33333    13.33333   294.84918   244.28636   56
Found three species comparison        coes        lppv        fea     40.00000    13.33333    13.33333   304.42392   244.28636   57
Found three species comparison        coes        lppv        feg     40.00000    13.33333    13.33333   302.69234   244.28636   58
Found three species comparison        coes        lppv        fee     40.00000    13.33333    13.33333   301.80660   244.28636   59
  Found two species comparison        coes        wu      40.00000    10.00000   292.01479   244.28636   60
  Found two species comparison        coes        wuls    40.00000    10.00000   295.49167   244.28636   61
Found three species comparison        coes        mag         fea     40.00000    10.00000    10.00000   313.36433   244.28636   62
Found three species comparison        coes        mag         feg     40.00000    10.00000    10.00000   312.06564   244.28636   63
Found three species comparison        coes        mag         fee     40.00000    10.00000    10.00000   311.40134   244.28636   64
Found three species comparison        coes        hmag        fea     40.00000    10.00000    10.00000   297.86525   244.28636   65
Found three species comparison        coes        hmag        feg     40.00000    10.00000    10.00000   296.56656   244.28636   66
Found three species comparison        coes        hmag        fee     40.00000    10.00000    10.00000   295.90226   244.28636   67
Found three species comparison        st          hepv        fea     40.00000    13.33333    13.33333   257.13109   244.28636   68
Found three species comparison        st          hepv        feg     40.00000    13.33333    13.33333   255.39951   244.28636   69
Found three species comparison        st          hepv        fee     40.00000    13.33333    13.33333   254.51377   244.28636   70
Found three species comparison        st          hlpv        fea     40.00000    13.33333    13.33333   255.38896   244.28636   71
Found three species comparison        st          hlpv        feg     40.00000    13.33333    13.33333   253.65737   244.28636   72
Found three species comparison        st          hlpv        fee     40.00000    13.33333    13.33333   252.77164   244.28636   73
Found three species comparison        st          hppv        fea     40.00000    13.33333    13.33333   251.30823   244.28636   74
Found three species comparison        st          hppv        feg     40.00000    13.33333    13.33333   249.57665   244.28636   75
Found three species comparison        st          hppv        fee     40.00000    13.33333    13.33333   248.69092   244.28636   76
Found three species comparison        st          lppv        fea     40.00000    13.33333    13.33333   258.26565   244.28636   77
Found three species comparison        st          lppv        feg     40.00000    13.33333    13.33333   256.53407   244.28636   78
Found three species comparison        st          lppv        fee     40.00000    13.33333    13.33333   255.64834   244.28636   79
  Found two species comparison        st          wu      40.00000    10.00000   245.85653   244.28636   80
  Found two species comparison        st          wuls    40.00000    10.00000   249.33341   244.28636   81
Found three species comparison        st          mag         fea     40.00000    10.00000    10.00000   267.20607   244.28636   82
Found three species comparison        st          mag         feg     40.00000    10.00000    10.00000   265.90738   244.28636   83
Found three species comparison        st          mag         fee     40.00000    10.00000    10.00000   265.24308   244.28636   84
Found three species comparison        st          hmag        fea     40.00000    10.00000    10.00000   251.70698   244.28636   85
Found three species comparison        st          hmag        feg     40.00000    10.00000    10.00000   250.40830   244.28636   86
Found three species comparison        st          hmag        fee     40.00000    10.00000    10.00000   249.74399   244.28636   87
Found three species comparison        apbo        hepv        fea     40.00000    13.33333    13.33333   257.13555   244.28636   88
Found three species comparison        apbo        hepv        feg     40.00000    13.33333    13.33333   255.40397   244.28636   89
Found three species comparison        apbo        hepv        fee     40.00000    13.33333    13.33333   254.51823   244.28636   90
Found three species comparison        apbo        hlpv        fea     40.00000    13.33333    13.33333   255.39342   244.28636   91
Found three species comparison        apbo        hlpv        feg     40.00000    13.33333    13.33333   253.66184   244.28636   92
Found three species comparison        apbo        hlpv        fee     40.00000    13.33333    13.33333   252.77610   244.28636   93
Found three species comparison        apbo        hppv        fea     40.00000    13.33333    13.33333   251.31269   244.28636   94
Found three species comparison        apbo        hppv        feg     40.00000    13.33333    13.33333   249.58111   244.28636   95
Found three species comparison        apbo        hppv        fee     40.00000    13.33333    13.33333   248.69538   244.28636   96
Found three species comparison        apbo        lppv        fea     40.00000    13.33333    13.33333   258.27011   244.28636   97
Found three species comparison        apbo        lppv        feg     40.00000    13.33333    13.33333   256.53853   244.28636   98
Found three species comparison        apbo        lppv        fee     40.00000    13.33333    13.33333   255.65280   244.28636   99
  Found two species comparison        apbo        wu      40.00000    10.00000   245.86099   244.28636  100
  Found two species comparison        apbo        wuls    40.00000    10.00000   249.33787   244.28636  101
Found three species comparison        apbo        mag         fea     40.00000    10.00000    10.00000   267.21053   244.28636  102
Found three species comparison        apbo        mag         feg     40.00000    10.00000    10.00000   265.91184   244.28636  103
Found three species comparison        apbo        mag         fee     40.00000    10.00000    10.00000   265.24754   244.28636  104
Found three species comparison        apbo        hmag        fea     40.00000    10.00000    10.00000   251.71144   244.28636  105
Found three species comparison        apbo        hmag        feg     40.00000    10.00000    10.00000   250.41276   244.28636  106
Found three species comparison        apbo        hmag        fee     40.00000    10.00000    10.00000   249.74846   244.28636  107
  Found one species comparison        fepv    40.00000   249.09669   244.28636  108
  Found one species comparison        flpv    40.00000   269.00166   244.28636  109
  Found one species comparison        fppv    40.00000   244.95798   244.28636  110
 105 fa                 1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -199.41363         4.18000      1073.00000
  Found one species comparison        fa       1.00000  -199.41363  -199.41363    1
  Found one species comparison        fewa     1.00000  -198.90312  -199.41363    2
  Found one species comparison        feri     1.00000  -199.15515  -199.41363    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -196.32932  -199.41363    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -196.34091  -199.41363    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -196.23246  -199.41363    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -196.29046  -199.41363    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -196.30204  -199.41363    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -196.19360  -199.41363    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -190.84082  -199.41363   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -190.85240  -199.41363   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -190.74396  -199.41363   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -191.73133  -199.41363   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -191.74292  -199.41363   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -191.63447  -199.41363   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -181.11031  -199.41363   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -181.12190  -199.41363   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -181.01346  -199.41363   18
  Found two species comparison        fs          wu       0.50000     0.25000  -198.42743  -199.41363   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -184.10139  -199.41363   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -197.87441  -199.41363   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -197.88310  -199.41363   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -197.80177  -199.41363   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -197.37169  -199.41363   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -197.38038  -199.41363   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -197.29905  -199.41363   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -196.26567  -199.41363   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -196.27725  -199.41363   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -196.16881  -199.41363   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -196.22680  -199.41363   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -196.23839  -199.41363   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -196.12995  -199.41363   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -190.77717  -199.41363   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -190.78875  -199.41363   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -190.68031  -199.41363   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -191.66768  -199.41363   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -191.67927  -199.41363   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -191.57082  -199.41363   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -181.04666  -199.41363   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -181.05825  -199.41363   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -180.94981  -199.41363   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -198.36378  -199.41363   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -184.03774  -199.41363   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -197.81076  -199.41363   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -197.81945  -199.41363   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -197.73812  -199.41363   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -197.30804  -199.41363   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -197.31673  -199.41363   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -197.23540  -199.41363   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -190.54186  -199.41363   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -190.55344  -199.41363   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -190.44500  -199.41363   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -188.59182  -199.41363   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -188.60340  -199.41363   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -188.49496  -199.41363   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -183.14218  -199.41363   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -183.15376  -199.41363   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -183.04532  -199.41363   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -184.03269  -199.41363   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -184.04428  -199.41363   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -183.93583  -199.41363   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -173.41167  -199.41363   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -173.42326  -199.41363   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -173.31482  -199.41363   64
  Found two species comparison        feil        wu       1.00000     0.25000  -190.72879  -199.41363   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -176.40275  -199.41363   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -190.17577  -199.41363   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -190.18446  -199.41363   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -190.10313  -199.41363   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -189.67305  -199.41363   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -189.68174  -199.41363   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -189.60041  -199.41363   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -191.91106  -199.41363   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -191.93423  -199.41363   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -191.71734  -199.41363   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -192.23863  -199.41363   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -192.26180  -199.41363   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -192.04491  -199.41363   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -188.97538  -199.41363   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -188.99855  -199.41363   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -188.78167  -199.41363   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -185.50586  -199.41363   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -185.52903  -199.41363   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -185.31215  -199.41363   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -183.72170  -199.41363   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -183.73329  -199.41363   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -183.62484  -199.41363   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -165.25901  -199.41363   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -165.27060  -199.41363   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -165.16215  -199.41363   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -180.41274  -199.41363   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -180.42433  -199.41363   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -180.31589  -199.41363   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -191.83333  -199.41363   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -191.85650  -199.41363   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -191.63961  -199.41363   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -180.93405  -199.41363   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -180.95722  -199.41363   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -180.74034  -199.41363   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -182.71508  -199.41363  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -182.73825  -199.41363  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -182.52136  -199.41363  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -161.47304  -199.41363  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -161.49621  -199.41363  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -161.27933  -199.41363  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -196.10727  -199.41363  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -167.45521  -199.41363  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -195.00124  -199.41363  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -195.01862  -199.41363  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -194.85595  -199.41363  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -193.99580  -199.41363  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -194.01317  -199.41363  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -193.85051  -199.41363  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -192.16090  -199.41363  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -192.18407  -199.41363  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -191.96718  -199.41363  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -181.26163  -199.41363  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -181.28479  -199.41363  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -181.06791  -199.41363  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -183.04265  -199.41363  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -183.06582  -199.41363  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -182.84894  -199.41363  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -161.80062  -199.41363  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -161.82378  -199.41363  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -161.60690  -199.41363  125
  Found two species comparison        coes        wu       1.00000     0.50000  -196.43484  -199.41363  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -167.78278  -199.41363  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -195.32881  -199.41363  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -195.34619  -199.41363  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -195.18353  -199.41363  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -194.32337  -199.41363  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -194.34074  -199.41363  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -194.17808  -199.41363  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -188.89765  -199.41363  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -188.92082  -199.41363  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -188.70394  -199.41363  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -177.99838  -199.41363  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -178.02155  -199.41363  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -177.80466  -199.41363  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -179.77940  -199.41363  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -179.80257  -199.41363  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -179.58569  -199.41363  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -158.53737  -199.41363  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -158.56054  -199.41363  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -158.34365  -199.41363  145
  Found two species comparison        st          wu       1.00000     0.50000  -193.17159  -199.41363  146
  Found two species comparison        st          wuls     1.00000     0.50000  -164.51953  -199.41363  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -192.06556  -199.41363  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -192.08294  -199.41363  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -191.92028  -199.41363  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -191.06012  -199.41363  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -191.07750  -199.41363  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -190.91483  -199.41363  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -185.42813  -199.41363  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -185.45130  -199.41363  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -185.23442  -199.41363  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -174.52886  -199.41363  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -174.55203  -199.41363  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -174.33514  -199.41363  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -176.30988  -199.41363  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -176.33305  -199.41363  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -176.11617  -199.41363  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -155.06785  -199.41363  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -155.09102  -199.41363  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -154.87413  -199.41363  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -189.70207  -199.41363  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -161.05001  -199.41363  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -188.59604  -199.41363  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -188.61342  -199.41363  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -188.45076  -199.41363  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -187.59060  -199.41363  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -187.60798  -199.41363  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -187.44531  -199.41363  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -185.59401  -199.41363  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -185.60559  -199.41363  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -185.49715  -199.41363  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -180.14437  -199.41363  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -180.15596  -199.41363  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -180.04752  -199.41363  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -179.12371  -199.41363  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -179.13530  -199.41363  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -179.02686  -199.41363  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -168.50269  -199.41363  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -168.51428  -199.41363  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -168.40584  -199.41363  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -185.81981  -199.41363  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -171.49378  -199.41363  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -185.26679  -199.41363  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -185.27548  -199.41363  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -185.19415  -199.41363  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -184.76407  -199.41363  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -184.77276  -199.41363  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -184.69143  -199.41363  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -167.13132  -199.41363  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -167.14290  -199.41363  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -167.03446  -199.41363  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -180.37388  -199.41363  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -180.38546  -199.41363  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -180.27702  -199.41363  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -161.68168  -199.41363  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -161.69327  -199.41363  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -161.58483  -199.41363  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -174.92424  -199.41363  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -174.93583  -199.41363  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -174.82738  -199.41363  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -160.66102  -199.41363  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -160.67261  -199.41363  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -160.56416  -199.41363  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -150.04000  -199.41363  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -150.05159  -199.41363  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -149.94315  -199.41363  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -167.35712  -199.41363  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -153.03108  -199.41363  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -166.80410  -199.41363  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -166.81279  -199.41363  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -166.73146  -199.41363  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -166.30138  -199.41363  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -166.31007  -199.41363  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -166.22874  -199.41363  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -176.47593  -199.41363  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -176.48751  -199.41363  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -176.37907  -199.41363  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -167.10491  -199.41363  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -167.11650  -199.41363  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -167.00805  -199.41363  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -182.51085  -199.41363  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -168.18482  -199.41363  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -181.95783  -199.41363  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -181.96652  -199.41363  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -181.88519  -199.41363  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -181.45511  -199.41363  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -181.46380  -199.41363  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -181.38247  -199.41363  233
 106 fa                 1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -203.44775         5.18000      1273.00000
  Found one species comparison        fa       1.00000  -203.44775  -203.44775    1
  Found one species comparison        fewa     1.00000  -203.20335  -203.44775    2
  Found one species comparison        feri     1.00000  -203.47228  -203.44775    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -200.24480  -203.44775    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -200.26365  -203.44775    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -200.13528  -203.44775    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -200.25172  -203.44775    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -200.27057  -203.44775    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -200.14220  -203.44775    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -194.68025  -203.44775   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -194.69910  -203.44775   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -194.57073  -203.44775   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -195.71796  -203.44775   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -195.73681  -203.44775   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -195.60844  -203.44775   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -185.02645  -203.44775   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -185.04530  -203.44775   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -184.91693  -203.44775   18
  Found two species comparison        fs          wu       0.50000     0.25000  -202.74704  -203.44775   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -188.03768  -203.44775   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -201.95598  -203.44775   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -201.97012  -203.44775   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -201.87384  -203.44775   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -201.52577  -203.44775   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -201.53991  -203.44775   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -201.44363  -203.44775   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -200.20140  -203.44775   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -200.22026  -203.44775   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -200.09188  -203.44775   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -200.20833  -203.44775   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -200.22718  -203.44775   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -200.09880  -203.44775   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -194.63686  -203.44775   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -194.65571  -203.44775   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -194.52733  -203.44775   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -195.67457  -203.44775   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -195.69342  -203.44775   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -195.56505  -203.44775   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -184.98305  -203.44775   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -185.00190  -203.44775   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -184.87353  -203.44775   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -202.70364  -203.44775   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -187.99428  -203.44775   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -201.91259  -203.44775   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -201.92672  -203.44775   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -201.83044  -203.44775   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -201.48238  -203.44775   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -201.49651  -203.44775   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -201.40024  -203.44775   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -195.16228  -203.44775   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -195.18113  -203.44775   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -195.05275  -203.44775   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -192.90179  -203.44775   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -192.92064  -203.44775   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -192.79227  -203.44775   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -187.33032  -203.44775   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -187.34917  -203.44775   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -187.22080  -203.44775   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -188.36803  -203.44775   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -188.38688  -203.44775   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -188.25851  -203.44775   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -177.67652  -203.44775   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -177.69537  -203.44775   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -177.56700  -203.44775   64
  Found two species comparison        feil        wu       1.00000     0.25000  -195.39711  -203.44775   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -180.68775  -203.44775   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -194.60605  -203.44775   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -194.62019  -203.44775   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -194.52391  -203.44775   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -194.17584  -203.44775   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -194.18998  -203.44775   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -194.09370  -203.44775   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -195.31915  -203.44775   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -195.35685  -203.44775   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -195.10011  -203.44775   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -195.83007  -203.44775   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -195.86777  -203.44775   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -195.61103  -203.44775   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -192.99496  -203.44775   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -193.03266  -203.44775   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -192.77592  -203.44775   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -189.50747  -203.44775   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -189.54517  -203.44775   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -189.28843  -203.44775   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -188.37392  -203.44775   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -188.39277  -203.44775   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -188.26439  -203.44775   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -169.84388  -203.44775   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -169.86273  -203.44775   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -169.73436  -203.44775   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -184.95954  -203.44775   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -184.97839  -203.44775   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -184.85002  -203.44775   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -195.33299  -203.44775   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -195.37069  -203.44775   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -195.11395  -203.44775   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -184.19005  -203.44775   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -184.22775  -203.44775   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -183.97101  -203.44775   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -186.26548  -203.44775  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -186.30318  -203.44775  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -186.04643  -203.44775  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -164.88244  -203.44775  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -164.92014  -203.44775  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -164.66340  -203.44775  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -200.32362  -203.44775  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -170.90491  -203.44775  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -198.74151  -203.44775  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -198.76979  -203.44775  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -198.57723  -203.44775  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -197.88109  -203.44775  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -197.90937  -203.44775  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -197.71681  -203.44775  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -195.84391  -203.44775  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -195.88161  -203.44775  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -195.62487  -203.44775  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -184.70097  -203.44775  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -184.73867  -203.44775  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -184.48193  -203.44775  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -186.77640  -203.44775  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -186.81410  -203.44775  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -186.55735  -203.44775  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -165.39336  -203.44775  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -165.43107  -203.44775  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -165.17432  -203.44775  125
  Found two species comparison        coes        wu       1.00000     0.50000  -200.83454  -203.44775  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -171.41583  -203.44775  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -199.25243  -203.44775  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -199.28071  -203.44775  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -199.08815  -203.44775  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -198.39202  -203.44775  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -198.42029  -203.44775  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -198.22773  -203.44775  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -193.00880  -203.44775  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -193.04650  -203.44775  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -192.78976  -203.44775  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -181.86586  -203.44775  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -181.90356  -203.44775  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -181.64682  -203.44775  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -183.94129  -203.44775  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -183.97899  -203.44775  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -183.72224  -203.44775  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -162.55825  -203.44775  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -162.59595  -203.44775  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -162.33921  -203.44775  145
  Found two species comparison        st          wu       1.00000     0.50000  -197.99943  -203.44775  146
  Found two species comparison        st          wuls     1.00000     0.50000  -168.58072  -203.44775  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -196.41732  -203.44775  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -196.44560  -203.44775  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -196.25304  -203.44775  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -195.55690  -203.44775  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -195.58518  -203.44775  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -195.39262  -203.44775  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -189.52131  -203.44775  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -189.55901  -203.44775  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -189.30227  -203.44775  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -178.37837  -203.44775  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -178.41607  -203.44775  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -178.15933  -203.44775  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -180.45380  -203.44775  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -180.49150  -203.44775  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -180.23475  -203.44775  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -159.07076  -203.44775  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -159.10846  -203.44775  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -158.85172  -203.44775  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -194.51194  -203.44775  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -165.09323  -203.44775  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -192.92983  -203.44775  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -192.95811  -203.44775  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -192.76555  -203.44775  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -192.06941  -203.44775  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -192.09769  -203.44775  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -191.90513  -203.44775  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -190.64824  -203.44775  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -190.66709  -203.44775  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -190.53872  -203.44775  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -185.07677  -203.44775  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -185.09562  -203.44775  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -184.96725  -203.44775  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -183.84708  -203.44775  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -183.86593  -203.44775  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -183.73756  -203.44775  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -173.15556  -203.44775  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -173.17441  -203.44775  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -173.04604  -203.44775  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -190.87615  -203.44775  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -176.16679  -203.44775  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -190.08510  -203.44775  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -190.09923  -203.44775  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -190.00296  -203.44775  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -189.65489  -203.44775  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -189.66903  -203.44775  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -189.57275  -203.44775  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -172.11820  -203.44775  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -172.13705  -203.44775  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -172.00868  -203.44775  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -184.96646  -203.44775  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -184.98531  -203.44775  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -184.85694  -203.44775  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -166.54673  -203.44775  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -166.56558  -203.44775  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -166.43721  -203.44775  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -179.39499  -203.44775  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -179.41384  -203.44775  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -179.28547  -203.44775  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -165.31704  -203.44775  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -165.33589  -203.44775  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -165.20752  -203.44775  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -154.62553  -203.44775  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -154.64438  -203.44775  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -154.51600  -203.44775  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -172.34612  -203.44775  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -157.63676  -203.44775  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -171.55506  -203.44775  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -171.56920  -203.44775  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -171.47292  -203.44775  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -171.12485  -203.44775  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -171.13899  -203.44775  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -171.04271  -203.44775  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -181.45011  -203.44775  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -181.46896  -203.44775  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -181.34058  -203.44775  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -172.00859  -203.44775  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -172.02744  -203.44775  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -171.89907  -203.44775  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -187.46177  -203.44775  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -172.75242  -203.44775  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -186.67072  -203.44775  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -186.68486  -203.44775  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -186.58858  -203.44775  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -186.24051  -203.44775  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -186.25465  -203.44775  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -186.15837  -203.44775  233
 107 fa                 1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -203.70955         5.14000      1273.00000
  Found one species comparison        fa       1.00000  -203.70955  -203.70955    1
  Found one species comparison        fewa     1.00000  -203.44699  -203.70955    2
  Found one species comparison        feri     1.00000  -203.71113  -203.70955    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -200.50001  -203.70955    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -200.51872  -203.70955    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -200.39023  -203.70955    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -200.50804  -203.70955    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -200.52676  -203.70955    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -200.39827  -203.70955    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -194.93024  -203.70955   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -194.94896  -203.70955   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -194.82047  -203.70955   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -195.96866  -203.70955   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -195.98738  -203.70955   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -195.85889  -203.70955   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -185.27449  -203.70955   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -185.29321  -203.70955   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -185.16472  -203.70955   18
  Found two species comparison        fs          wu       0.50000     0.25000  -203.00092  -203.70955   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -188.28369  -203.70955   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -202.21335  -203.70955   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -202.22738  -203.70955   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -202.13102  -203.70955   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -201.77955  -203.70955   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -201.79359  -203.70955   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -201.69722  -203.70955   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -200.45370  -203.70955   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -200.47242  -203.70955   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -200.34393  -203.70955   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -200.46174  -203.70955   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -200.48045  -203.70955   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -200.35196  -203.70955   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -194.88394  -203.70955   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -194.90265  -203.70955   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -194.77416  -203.70955   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -195.92236  -203.70955   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -195.94107  -203.70955   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -195.81258  -203.70955   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -185.22819  -203.70955   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -185.24690  -203.70955   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -185.11841  -203.70955   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -202.95462  -203.70955   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -188.23739  -203.70955   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -202.16704  -203.70955   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -202.18108  -203.70955   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -202.08471  -203.70955   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -201.73325  -203.70955   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -201.74728  -203.70955   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -201.65092  -203.70955   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -195.38716  -203.70955   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -195.40588  -203.70955   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -195.27739  -203.70955   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -193.12779  -203.70955   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -193.14651  -203.70955   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -193.01802  -203.70955   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -187.54999  -203.70955   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -187.56871  -203.70955   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -187.44022  -203.70955   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -188.58841  -203.70955   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -188.60713  -203.70955   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -188.47864  -203.70955   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -177.89424  -203.70955   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -177.91296  -203.70955   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -177.78447  -203.70955   64
  Found two species comparison        feil        wu       1.00000     0.25000  -195.62067  -203.70955   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -180.90344  -203.70955   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -194.83310  -203.70955   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -194.84713  -203.70955   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -194.75077  -203.70955   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -194.39930  -203.70955   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -194.41334  -203.70955   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -194.31697  -203.70955   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -195.58391  -203.70955   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -195.62134  -203.70955   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -195.36436  -203.70955   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -196.08674  -203.70955   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -196.12417  -203.70955   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -195.86719  -203.70955   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -193.21868  -203.70955   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -193.25610  -203.70955   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -192.99913  -203.70955   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -189.72919  -203.70955   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -189.76661  -203.70955   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -189.50964  -203.70955   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -188.59110  -203.70955   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -188.60982  -203.70955   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -188.48133  -203.70955   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -170.05913  -203.70955   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -170.07785  -203.70955   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -169.94936  -203.70955   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -185.17345  -203.70955   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -185.19216  -203.70955   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -185.06367  -203.70955   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -195.59999  -203.70955   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -195.63742  -203.70955   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -195.38044  -203.70955   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -184.44438  -203.70955   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -184.48181  -203.70955   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -184.22483  -203.70955   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -186.52122  -203.70955  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -186.55865  -203.70955  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -186.30167  -203.70955  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -165.13289  -203.70955  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -165.17032  -203.70955  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -164.91334  -203.70955  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -200.58575  -203.70955  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -171.15128  -203.70955  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -199.01059  -203.70955  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -199.03867  -203.70955  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -198.84593  -203.70955  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -198.14301  -203.70955  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -198.17108  -203.70955  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -197.97834  -203.70955  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -196.10281  -203.70955  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -196.14024  -203.70955  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -195.88326  -203.70955  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -184.94721  -203.70955  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -184.98464  -203.70955  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -184.72766  -203.70955  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -187.02405  -203.70955  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -187.06147  -203.70955  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -186.80450  -203.70955  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -165.63571  -203.70955  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -165.67314  -203.70955  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -165.41616  -203.70955  125
  Found two species comparison        coes        wu       1.00000     0.50000  -201.08857  -203.70955  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -171.65410  -203.70955  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -199.51342  -203.70955  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -199.54149  -203.70955  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -199.34875  -203.70955  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -198.64583  -203.70955  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -198.67390  -203.70955  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -198.48117  -203.70955  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -193.23475  -203.70955  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -193.27218  -203.70955  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -193.01520  -203.70955  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -182.07915  -203.70955  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -182.11658  -203.70955  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -181.85960  -203.70955  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -184.15598  -203.70955  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -184.19341  -203.70955  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -183.93643  -203.70955  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -162.76765  -203.70955  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -162.80508  -203.70955  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -162.54810  -203.70955  145
  Found two species comparison        st          wu       1.00000     0.50000  -198.22051  -203.70955  146
  Found two species comparison        st          wuls     1.00000     0.50000  -168.78604  -203.70955  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -196.64536  -203.70955  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -196.67343  -203.70955  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -196.48069  -203.70955  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -195.77777  -203.70955  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -195.80584  -203.70955  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -195.61311  -203.70955  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -189.74526  -203.70955  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -189.78269  -203.70955  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -189.52571  -203.70955  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -178.58966  -203.70955  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -178.62709  -203.70955  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -178.37011  -203.70955  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -180.66649  -203.70955  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -180.70392  -203.70955  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -180.44694  -203.70955  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -159.27816  -203.70955  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -159.31559  -203.70955  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -159.05861  -203.70955  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -194.73102  -203.70955  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -165.29655  -203.70955  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -193.15587  -203.70955  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -193.18394  -203.70955  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -192.99120  -203.70955  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -192.28828  -203.70955  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -192.31635  -203.70955  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -192.12362  -203.70955  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -190.86654  -203.70955  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -190.88526  -203.70955  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -190.75677  -203.70955  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -185.28874  -203.70955  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -185.30746  -203.70955  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -185.17897  -203.70955  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -184.05976  -203.70955  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -184.07847  -203.70955  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -183.94998  -203.70955  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -173.36559  -203.70955  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -173.38430  -203.70955  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -173.25581  -203.70955  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -191.09202  -203.70955  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -176.37479  -203.70955  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -190.30444  -203.70955  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -190.31848  -203.70955  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -190.22211  -203.70955  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -189.87065  -203.70955  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -189.88469  -203.70955  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -189.78832  -203.70955  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -172.33458  -203.70955  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -172.35329  -203.70955  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -172.22480  -203.70955  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -185.18149  -203.70955  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -185.20020  -203.70955  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -185.07171  -203.70955  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -166.75677  -203.70955  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -166.77549  -203.70955  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -166.64700  -203.70955  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -179.60368  -203.70955  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -179.62240  -203.70955  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -179.49391  -203.70955  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -165.52779  -203.70955  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -165.54650  -203.70955  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -165.41801  -203.70955  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -154.83362  -203.70955  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -154.85234  -203.70955  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -154.72385  -203.70955  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -172.56005  -203.70955  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -157.84282  -203.70955  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -171.77247  -203.70955  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -171.78651  -203.70955  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -171.69014  -203.70955  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -171.33868  -203.70955  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -171.35272  -203.70955  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -171.25635  -203.70955  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -181.65951  -203.70955  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -181.67822  -203.70955  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -181.54973  -203.70955  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -172.21534  -203.70955  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -172.23405  -203.70955  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -172.10556  -203.70955  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -187.67436  -203.70955  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -172.95713  -203.70955  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -186.88679  -203.70955  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -186.90082  -203.70955  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -186.80446  -203.70955  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -186.45299  -203.70955  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -186.46703  -203.70955  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -186.37066  -203.70955  233
 108 fa                 1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -212.32174         5.56000      1473.00000
  Found one species comparison        fa       1.00000  -212.32174  -212.32174    1
  Found one species comparison        fewa     1.00000  -212.06260  -212.32174    2
  Found one species comparison        feri     1.00000  -212.27392  -212.32174    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -208.91682  -212.32174    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -208.93328  -212.32174    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -208.78923  -212.32174    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -208.98787  -212.32174    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -209.00433  -212.32174    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -208.86029  -212.32174    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -203.19503  -212.32174   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -203.21150  -212.32174   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -203.06745  -212.32174   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -204.39540  -212.32174   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -204.41187  -212.32174   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -204.26782  -212.32174   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -193.59323  -212.32174   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -193.60969  -212.32174   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -193.46564  -212.32174   18
  Found two species comparison        fs          wu       0.50000     0.25000  -211.78743  -212.32174   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -196.57262  -212.32174   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -210.83133  -212.32174   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -210.84368  -212.32174   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -210.73564  -212.32174   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -210.42043  -212.32174   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -210.43277  -212.32174   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -210.32474  -212.32174   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -208.84778  -212.32174   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -208.86425  -212.32174   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -208.72020  -212.32174   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -208.91884  -212.32174   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -208.93530  -212.32174   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -208.79125  -212.32174   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -203.12600  -212.32174   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -203.14246  -212.32174   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -202.99842  -212.32174   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -204.32637  -212.32174   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -204.34284  -212.32174   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -204.19879  -212.32174   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -193.52419  -212.32174   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -193.54066  -212.32174   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -193.39661  -212.32174   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -211.71840  -212.32174   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -196.50359  -212.32174   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -210.76230  -212.32174   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -210.77464  -212.32174   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -210.66661  -212.32174   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -210.35139  -212.32174   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -210.36374  -212.32174   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -210.25571  -212.32174   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -204.06689  -212.32174   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -204.08335  -212.32174   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -203.93931  -212.32174   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -201.51431  -212.32174   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -201.53077  -212.32174   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -201.38673  -212.32174   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -195.72147  -212.32174   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -195.73794  -212.32174   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -195.59389  -212.32174   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -196.92184  -212.32174   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -196.93831  -212.32174   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -196.79426  -212.32174   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -186.11967  -212.32174   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -186.13613  -212.32174   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -185.99208  -212.32174   64
  Found two species comparison        feil        wu       1.00000     0.25000  -204.31387  -212.32174   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -189.09906  -212.32174   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -203.35777  -212.32174   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -203.37012  -212.32174   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -203.26208  -212.32174   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -202.94687  -212.32174   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -202.95921  -212.32174   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -202.85118  -212.32174   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -203.66142  -212.32174   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -203.69435  -212.32174   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -203.40626  -212.32174   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -204.22147  -212.32174   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -204.25440  -212.32174   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -203.96631  -212.32174   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -201.29875  -212.32174   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -201.33167  -212.32174   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -201.04358  -212.32174   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -197.76132  -212.32174   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -197.79425  -212.32174   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -197.50615  -212.32174   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -197.19762  -212.32174   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -197.21409  -212.32174   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -197.07004  -212.32174   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -178.57207  -212.32174   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -178.58853  -212.32174   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -178.44448  -212.32174   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -193.63275  -212.32174   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -193.64921  -212.32174   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -193.50516  -212.32174   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -203.80354  -212.32174   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -203.83646  -212.32174   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -203.54837  -212.32174   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -192.21786  -212.32174   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -192.25079  -212.32174   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -191.96270  -212.32174   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -194.61860  -212.32174  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -194.65153  -212.32174  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -194.36344  -212.32174  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -173.01425  -212.32174  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -173.04717  -212.32174  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -172.75908  -212.32174  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -209.40266  -212.32174  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -178.97304  -212.32174  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -207.49045  -212.32174  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -207.51515  -212.32174  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -207.29908  -212.32174  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -206.66865  -212.32174  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -206.69334  -212.32174  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -206.47727  -212.32174  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -204.36358  -212.32174  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -204.39651  -212.32174  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -204.10842  -212.32174  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -192.77791  -212.32174  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -192.81084  -212.32174  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -192.52274  -212.32174  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -195.17865  -212.32174  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -195.21158  -212.32174  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -194.92348  -212.32174  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -173.57429  -212.32174  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -173.60722  -212.32174  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -173.31913  -212.32174  125
  Found two species comparison        coes        wu       1.00000     0.50000  -209.96271  -212.32174  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -179.53309  -212.32174  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -208.05050  -212.32174  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -208.07520  -212.32174  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -207.85913  -212.32174  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -207.22870  -212.32174  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -207.25339  -212.32174  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -207.03732  -212.32174  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -201.44086  -212.32174  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -201.47379  -212.32174  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -201.18569  -212.32174  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -189.85519  -212.32174  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -189.88811  -212.32174  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -189.60002  -212.32174  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -192.25593  -212.32174  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -192.28885  -212.32174  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -192.00076  -212.32174  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -170.65157  -212.32174  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -170.68450  -212.32174  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -170.39640  -212.32174  145
  Found two species comparison        st          wu       1.00000     0.50000  -207.03998  -212.32174  146
  Found two species comparison        st          wuls     1.00000     0.50000  -176.61037  -212.32174  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -205.12778  -212.32174  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -205.15247  -212.32174  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -204.93640  -212.32174  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -204.30597  -212.32174  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -204.33067  -212.32174  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -204.11460  -212.32174  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -197.90343  -212.32174  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -197.93636  -212.32174  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -197.64827  -212.32174  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -186.31776  -212.32174  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -186.35069  -212.32174  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -186.06259  -212.32174  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -188.71850  -212.32174  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -188.75143  -212.32174  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -188.46333  -212.32174  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -167.11414  -212.32174  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -167.14707  -212.32174  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -166.85897  -212.32174  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -203.50256  -212.32174  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -173.07294  -212.32174  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -201.59035  -212.32174  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -201.61505  -212.32174  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -201.39898  -212.32174  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -200.76855  -212.32174  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -200.79324  -212.32174  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -200.57717  -212.32174  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -199.89231  -212.32174  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -199.90878  -212.32174  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -199.76473  -212.32174  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -194.09948  -212.32174  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -194.11594  -212.32174  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -193.97189  -212.32174  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -192.67621  -212.32174  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -192.69267  -212.32174  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -192.54863  -212.32174  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -181.87403  -212.32174  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -181.89050  -212.32174  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -181.74645  -212.32174  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -200.06824  -212.32174  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -184.85343  -212.32174  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -199.11214  -212.32174  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -199.12448  -212.32174  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -199.01645  -212.32174  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -198.70123  -212.32174  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -198.71358  -212.32174  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -198.60555  -212.32174  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -181.26676  -212.32174  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -181.28322  -212.32174  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -181.13917  -212.32174  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -193.70380  -212.32174  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -193.72026  -212.32174  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -193.57622  -212.32174  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -175.47392  -212.32174  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -175.49038  -212.32174  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -175.34634  -212.32174  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -187.91096  -212.32174  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -187.92743  -212.32174  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -187.78338  -212.32174  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -174.05066  -212.32174  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -174.06712  -212.32174  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -173.92307  -212.32174  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -163.24848  -212.32174  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -163.26494  -212.32174  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -163.12089  -212.32174  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -181.44268  -212.32174  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -166.22788  -212.32174  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -180.48658  -212.32174  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -180.49893  -212.32174  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -180.39089  -212.32174  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -180.07568  -212.32174  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -180.08803  -212.32174  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -179.97999  -212.32174  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -190.48497  -212.32174  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -190.50143  -212.32174  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -190.35739  -212.32174  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -180.93279  -212.32174  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -180.94925  -212.32174  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -180.80521  -212.32174  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -196.50336  -212.32174  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -181.28855  -212.32174  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -195.54726  -212.32174  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -195.55961  -212.32174  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -195.45157  -212.32174  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -195.13636  -212.32174  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -195.14870  -212.32174  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -195.04067  -212.32174  233
 109 fa                 1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -212.71568         5.50000      1473.00000
  Found one species comparison        fa       1.00000  -212.71568  -212.71568    1
  Found one species comparison        fewa     1.00000  -212.42940  -212.71568    2
  Found one species comparison        feri     1.00000  -212.63338  -212.71568    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -209.30051  -212.71568    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -209.31679  -212.71568    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -209.17272  -212.71568    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -209.37339  -212.71568    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -209.38968  -212.71568    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -209.24561  -212.71568    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -203.57088  -212.71568   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -203.58716  -212.71568   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -203.44310  -212.71568   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -204.77255  -212.71568   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -204.78884  -212.71568   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -204.64477  -212.71568   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -193.96642  -212.71568   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -193.98271  -212.71568   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -193.83864  -212.71568   18
  Found two species comparison        fs          wu       0.50000     0.25000  -212.16913  -212.71568   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -196.94244  -212.71568   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -211.21815  -212.71568   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -211.23036  -212.71568   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -211.12231  -212.71568   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -210.80203  -212.71568   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -210.81424  -212.71568   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -210.70619  -212.71568   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -209.22789  -212.71568   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -209.24417  -212.71568   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -209.10011  -212.71568   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -209.30078  -212.71568   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -209.31706  -212.71568   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -209.17299  -212.71568   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -203.49826  -212.71568   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -203.51454  -212.71568   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -203.37048  -212.71568   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -204.69994  -212.71568   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -204.71622  -212.71568   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -204.57215  -212.71568   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -193.89381  -212.71568   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -193.91009  -212.71568   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -193.76602  -212.71568   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -212.09652  -212.71568   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -196.86982  -212.71568   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -211.14553  -212.71568   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -211.15774  -212.71568   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -211.04969  -212.71568   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -210.72941  -212.71568   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -210.74162  -212.71568   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -210.63357  -212.71568   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -204.40561  -212.71568   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -204.42189  -212.71568   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -204.27783  -212.71568   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -201.85486  -212.71568   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -201.87114  -212.71568   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -201.72708  -212.71568   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -196.05235  -212.71568   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -196.06863  -212.71568   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -195.92456  -212.71568   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -197.25402  -212.71568   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -197.27030  -212.71568   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -197.12624  -212.71568   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -186.44789  -212.71568   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -186.46417  -212.71568   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -186.32011  -212.71568   64
  Found two species comparison        feil        wu       1.00000     0.25000  -204.65060  -212.71568   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -189.42391  -212.71568   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -203.69961  -212.71568   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -203.71183  -212.71568   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -203.60378  -212.71568   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -203.28349  -212.71568   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -203.29571  -212.71568   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -203.18766  -212.71568   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -204.06003  -212.71568   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -204.09259  -212.71568   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -203.80446  -212.71568   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -204.60736  -212.71568   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -204.63993  -212.71568   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -204.35179  -212.71568   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -201.63599  -212.71568   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -201.66856  -212.71568   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -201.38042  -212.71568   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -198.09553  -212.71568   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -198.12810  -212.71568   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -197.83997  -212.71568   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -197.52491  -212.71568   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -197.54120  -212.71568   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -197.39713  -212.71568   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -178.89647  -212.71568   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -178.91275  -212.71568   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -178.76869  -212.71568   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -193.95532  -212.71568   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -193.97160  -212.71568   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -193.82754  -212.71568   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -204.20580  -212.71568   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -204.23836  -212.71568   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -203.95023  -212.71568   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -192.60077  -212.71568   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -192.63333  -212.71568   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -192.34520  -212.71568   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -195.00411  -212.71568  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -195.03668  -212.71568  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -194.74855  -212.71568  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -173.39185  -212.71568  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -173.42442  -212.71568  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -173.13629  -212.71568  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -209.79728  -212.71568  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -179.34388  -212.71568  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -207.89530  -212.71568  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -207.91972  -212.71568  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -207.70362  -212.71568  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -207.06306  -212.71568  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -207.08748  -212.71568  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -206.87138  -212.71568  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -204.75313  -212.71568  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -204.78570  -212.71568  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -204.49756  -212.71568  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -193.14811  -212.71568  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -193.18067  -212.71568  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -192.89254  -212.71568  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -195.55145  -212.71568  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -195.58402  -212.71568  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -195.29588  -212.71568  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -173.93919  -212.71568  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -173.97176  -212.71568  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -173.68362  -212.71568  125
  Found two species comparison        coes        wu       1.00000     0.50000  -210.34461  -212.71568  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -179.89122  -212.71568  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -208.44264  -212.71568  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -208.46706  -212.71568  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -208.25096  -212.71568  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -207.61040  -212.71568  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -207.63482  -212.71568  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -207.41872  -212.71568  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -201.78176  -212.71568  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -201.81433  -212.71568  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -201.52620  -212.71568  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -190.17674  -212.71568  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -190.20930  -212.71568  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -189.92117  -212.71568  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -192.58008  -212.71568  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -192.61265  -212.71568  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -192.32451  -212.71568  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -170.96782  -212.71568  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -171.00039  -212.71568  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -170.71225  -212.71568  145
  Found two species comparison        st          wu       1.00000     0.50000  -207.37325  -212.71568  146
  Found two species comparison        st          wuls     1.00000     0.50000  -176.91985  -212.71568  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -205.47127  -212.71568  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -205.49569  -212.71568  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -205.27959  -212.71568  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -204.63903  -212.71568  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -204.66345  -212.71568  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -204.44735  -212.71568  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -198.24130  -212.71568  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -198.27387  -212.71568  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -197.98574  -212.71568  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -186.63628  -212.71568  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -186.66884  -212.71568  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -186.38071  -212.71568  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -189.03962  -212.71568  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -189.07219  -212.71568  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -188.78405  -212.71568  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -167.42736  -212.71568  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -167.45993  -212.71568  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -167.17179  -212.71568  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -203.83279  -212.71568  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -173.37939  -212.71568  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -201.93081  -212.71568  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -201.95523  -212.71568  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -201.73913  -212.71568  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -201.09857  -212.71568  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -201.12299  -212.71568  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -200.90689  -212.71568  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -200.22143  -212.71568  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -200.23772  -212.71568  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -200.09365  -212.71568  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -194.41892  -212.71568  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -194.43520  -212.71568  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -194.29113  -212.71568  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -192.99696  -212.71568  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -193.01324  -212.71568  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -192.86917  -212.71568  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -182.19083  -212.71568  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -182.20711  -212.71568  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -182.06304  -212.71568  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -200.39354  -212.71568  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -185.16684  -212.71568  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -199.44255  -212.71568  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -199.45476  -212.71568  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -199.34671  -212.71568  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -199.02643  -212.71568  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -199.03864  -212.71568  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -198.93059  -212.71568  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -181.59299  -212.71568  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -181.60927  -212.71568  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -181.46521  -212.71568  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -194.02821  -212.71568  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -194.04449  -212.71568  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -193.90042  -212.71568  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -175.79048  -212.71568  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -175.80676  -212.71568  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -175.66269  -212.71568  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -188.22569  -212.71568  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -188.24197  -212.71568  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -188.09791  -212.71568  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -174.36852  -212.71568  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -174.38480  -212.71568  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -174.24073  -212.71568  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -163.56239  -212.71568  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -163.57867  -212.71568  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -163.43460  -212.71568  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -181.76510  -212.71568  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -166.53840  -212.71568  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -180.81411  -212.71568  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -180.82632  -212.71568  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -180.71827  -212.71568  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -180.39799  -212.71568  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -180.41020  -212.71568  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -180.30215  -212.71568  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -190.80100  -212.71568  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -190.81728  -212.71568  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -190.67321  -212.71568  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -181.24487  -212.71568  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -181.26115  -212.71568  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -181.11709  -212.71568  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -196.82395  -212.71568  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -181.59725  -212.71568  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -195.87296  -212.71568  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -195.88517  -212.71568  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -195.77712  -212.71568  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -195.45684  -212.71568  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -195.46905  -212.71568  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -195.36100  -212.71568  233
 110 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -194.15055         5.02000      1073.00000
  Found one species comparison        fa       1.00000  -193.92501  -194.15055    1
  Found one species comparison        fewa     1.00000  -193.79898  -194.15055    2
  Found one species comparison        feri     1.00000  -194.15055  -194.15055    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -190.97390  -194.15055    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -190.98862  -194.15055    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -190.88440  -194.15055    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -190.91318  -194.15055    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -190.92789  -194.15055    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -190.82367  -194.15055    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -185.59479  -194.15055   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -185.60950  -194.15055   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -185.50529  -194.15055   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -186.47313  -194.15055   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -186.48784  -194.15055   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -186.38363  -194.15055   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -175.90810  -194.15055   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -175.92282  -194.15055   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -175.81860  -194.15055   18
  Found two species comparison        fs          wu       0.50000     0.25000  -193.09948  -194.15055   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -178.93823  -194.15055   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -192.47207  -194.15055   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -192.48310  -194.15055   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -192.40494  -194.15055   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -192.04675  -194.15055   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -192.05778  -194.15055   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -191.97962  -194.15055   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -190.98270  -194.15055   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -190.99741  -194.15055   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -190.89320  -194.15055   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -190.92197  -194.15055   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -190.93669  -194.15055   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -190.83247  -194.15055   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -185.60358  -194.15055   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -185.61830  -194.15055   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -185.51408  -194.15055   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -186.48192  -194.15055   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -186.49664  -194.15055   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -186.39242  -194.15055   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -175.91690  -194.15055   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -175.93161  -194.15055   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -175.82740  -194.15055   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -193.10827  -194.15055   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -178.94703  -194.15055   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -192.48086  -194.15055   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -192.49190  -194.15055   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -192.41374  -194.15055   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -192.05554  -194.15055   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -192.06658  -194.15055   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -191.98841  -194.15055   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -185.83336  -194.15055   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -185.84808  -194.15055   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -185.74386  -194.15055   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -183.86146  -194.15055   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -183.87618  -194.15055   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -183.77196  -194.15055   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -178.54308  -194.15055   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -178.55779  -194.15055   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -178.45357  -194.15055   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -179.42142  -194.15055   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -179.43613  -194.15055   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -179.33191  -194.15055   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -168.85639  -194.15055   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -168.87111  -194.15055   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -168.76689  -194.15055   64
  Found two species comparison        feil        wu       1.00000     0.25000  -186.04776  -194.15055   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -171.88652  -194.15055   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -185.42035  -194.15055   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -185.43139  -194.15055   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -185.35323  -194.15055   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -184.99503  -194.15055   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -185.00607  -194.15055   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -184.92791  -194.15055   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -186.35845  -194.15055   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -186.38788  -194.15055   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -186.17944  -194.15055   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -186.85326  -194.15055   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -186.88270  -194.15055   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -186.67426  -194.15055   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -184.29545  -194.15055   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -184.32489  -194.15055   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -184.11645  -194.15055   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -180.86758  -194.15055   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -180.89701  -194.15055   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -180.68858  -194.15055   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -179.17746  -194.15055   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -179.19218  -194.15055   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -179.08796  -194.15055   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -160.75548  -194.15055   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -160.77020  -194.15055   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -160.66598  -194.15055   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -175.93984  -194.15055   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -175.95455  -194.15055   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -175.85033  -194.15055   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -186.23699  -194.15055   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -186.26643  -194.15055   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -186.05799  -194.15055   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -175.60022  -194.15055   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -175.62965  -194.15055   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -175.42122  -194.15055   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -177.35690  -194.15055  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -177.38633  -194.15055  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -177.17790  -194.15055  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -156.22685  -194.15055  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -156.25628  -194.15055  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -156.04785  -194.15055  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -190.60959  -194.15055  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -162.28711  -194.15055  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -189.35478  -194.15055  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -189.37685  -194.15055  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -189.22053  -194.15055  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -188.50413  -194.15055  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -188.52621  -194.15055  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -188.36988  -194.15055  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -186.73181  -194.15055  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -186.76124  -194.15055  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -186.55281  -194.15055  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -176.09504  -194.15055  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -176.12447  -194.15055  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -175.91603  -194.15055  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -177.85172  -194.15055  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -177.88115  -194.15055  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -177.67271  -194.15055  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -156.72166  -194.15055  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -156.75110  -194.15055  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -156.54266  -194.15055  125
  Found two species comparison        coes        wu       1.00000     0.50000  -191.10441  -194.15055  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -162.78192  -194.15055  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -189.84959  -194.15055  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -189.87167  -194.15055  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -189.71534  -194.15055  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -188.99895  -194.15055  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -189.02102  -194.15055  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -188.86470  -194.15055  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -184.17400  -194.15055  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -184.20343  -194.15055  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -183.99500  -194.15055  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -173.53723  -194.15055  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -173.56666  -194.15055  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -173.35822  -194.15055  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -175.29391  -194.15055  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -175.32334  -194.15055  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -175.11490  -194.15055  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -154.16386  -194.15055  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -154.19329  -194.15055  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -153.98485  -194.15055  145
  Found two species comparison        st          wu       1.00000     0.50000  -188.54660  -194.15055  146
  Found two species comparison        st          wuls     1.00000     0.50000  -160.22411  -194.15055  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -187.29178  -194.15055  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -187.31386  -194.15055  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -187.15753  -194.15055  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -186.44114  -194.15055  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -186.46322  -194.15055  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -186.30689  -194.15055  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -180.74613  -194.15055  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -180.77556  -194.15055  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -180.56713  -194.15055  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -170.10935  -194.15055  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -170.13879  -194.15055  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -169.93035  -194.15055  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -171.86603  -194.15055  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -171.89547  -194.15055  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -171.68703  -194.15055  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -150.73598  -194.15055  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -150.76542  -194.15055  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -150.55698  -194.15055  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -185.11873  -194.15055  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -156.79624  -194.15055  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -183.86391  -194.15055  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -183.88599  -194.15055  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -183.72966  -194.15055  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -183.01327  -194.15055  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -183.03534  -194.15055  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -182.87902  -194.15055  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -181.02791  -194.15055  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -181.04262  -194.15055  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -180.93841  -194.15055  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -175.70952  -194.15055  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -175.72424  -194.15055  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -175.62002  -194.15055  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -174.67669  -194.15055  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -174.69140  -194.15055  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -174.58718  -194.15055  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -164.11166  -194.15055  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -164.12638  -194.15055  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -164.02216  -194.15055  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -181.30303  -194.15055  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -167.14179  -194.15055  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -180.67562  -194.15055  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -180.68666  -194.15055  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -180.60850  -194.15055  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -180.25030  -194.15055  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -180.26134  -194.15055  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -180.18318  -194.15055  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -162.60593  -194.15055  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -162.62065  -194.15055  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -162.51643  -194.15055  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -175.87911  -194.15055  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -175.89383  -194.15055  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -175.78961  -194.15055  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -157.28754  -194.15055  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -157.30226  -194.15055  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -157.19804  -194.15055  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -170.56072  -194.15055  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -170.57544  -194.15055  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -170.47122  -194.15055  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -156.25471  -194.15055  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -156.26942  -194.15055  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -156.16521  -194.15055  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -145.68968  -194.15055  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -145.70440  -194.15055  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -145.60018  -194.15055  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -162.88106  -194.15055  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -148.71981  -194.15055  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -162.25365  -194.15055  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -162.26468  -194.15055  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -162.18652  -194.15055  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -161.82833  -194.15055  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -161.83936  -194.15055  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -161.76120  -194.15055  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -172.10024  -194.15055  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -172.11495  -194.15055  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -172.01073  -194.15055  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -162.78521  -194.15055  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -162.79993  -194.15055  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -162.69571  -194.15055  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -178.06541  -194.15055  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -163.90416  -194.15055  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -177.43800  -194.15055  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -177.44904  -194.15055  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -177.37087  -194.15055  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -177.01268  -194.15055  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -177.02372  -194.15055  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -176.94555  -194.15055  233
 111 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -195.34031         4.82000      1073.00000
  Found one species comparison        fa       1.00000  -195.22883  -195.34031    1
  Found one species comparison        fewa     1.00000  -195.01194  -195.34031    2
  Found one species comparison        feri     1.00000  -195.34031  -195.34031    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -192.24589  -195.34031    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -192.25987  -195.34031    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -192.15463  -195.34031    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -192.19015  -195.34031    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -192.20412  -195.34031    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -192.09888  -195.34031    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -186.84079  -195.34031   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -186.85476  -195.34031   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -186.74952  -195.34031   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -187.72193  -195.34031   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -187.73590  -195.34031   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -187.63066  -195.34031   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -177.14359  -195.34031   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -177.15756  -195.34031   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -177.05232  -195.34031   18
  Found two species comparison        fs          wu       0.50000     0.25000  -194.36483  -195.34031   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -180.16454  -195.34031   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -193.75519  -195.34031   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -193.76567  -195.34031   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -193.68674  -195.34031   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -193.31143  -195.34031   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -193.32190  -195.34031   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -193.24297  -195.34031   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -192.23768  -195.34031   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -192.25165  -195.34031   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -192.14641  -195.34031   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -192.18193  -195.34031   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -192.19590  -195.34031   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -192.09066  -195.34031   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -186.83257  -195.34031   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -186.84654  -195.34031   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -186.74131  -195.34031   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -187.71371  -195.34031   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -187.72768  -195.34031   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -187.62244  -195.34031   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -177.13537  -195.34031   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -177.14934  -195.34031   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -177.04411  -195.34031   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -194.35661  -195.34031   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -180.15633  -195.34031   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -193.74697  -195.34031   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -193.75745  -195.34031   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -193.67852  -195.34031   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -193.30321  -195.34031   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -193.31369  -195.34031   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -193.23476  -195.34031   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -186.95266  -195.34031   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -186.96663  -195.34031   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -186.86139  -195.34031   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -184.98574  -195.34031   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -184.99971  -195.34031   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -184.89447  -195.34031   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -179.63638  -195.34031   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -179.65035  -195.34031   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -179.54511  -195.34031   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -180.51752  -195.34031   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -180.53149  -195.34031   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -180.42625  -195.34031   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -169.93918  -195.34031   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -169.95315  -195.34031   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -169.84791  -195.34031   64
  Found two species comparison        feil        wu       1.00000     0.25000  -187.16042  -195.34031   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -172.96013  -195.34031   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -186.55078  -195.34031   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -186.56126  -195.34031   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -186.48233  -195.34031   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -186.10702  -195.34031   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -186.11750  -195.34031   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -186.03857  -195.34031   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -187.67612  -195.34031   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -187.70406  -195.34031   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -187.49358  -195.34031   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -188.13270  -195.34031   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -188.16064  -195.34031   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -187.95016  -195.34031   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -185.40808  -195.34031   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -185.43602  -195.34031   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -185.22554  -195.34031   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -181.97033  -195.34031   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -181.99827  -195.34031   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -181.78779  -195.34031   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -180.25795  -195.34031   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -180.27192  -195.34031   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -180.16668  -195.34031   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -161.82629  -195.34031   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -161.84026  -195.34031   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -161.73502  -195.34031   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -177.00339  -195.34031   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -177.01736  -195.34031   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -176.91212  -195.34031   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -187.56462  -195.34031   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -187.59256  -195.34031   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -187.38209  -195.34031   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -176.86591  -195.34031   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -176.89385  -195.34031   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -176.68337  -195.34031   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -178.62818  -195.34031  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -178.65612  -195.34031  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -178.44564  -195.34031  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -157.47151  -195.34031  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -157.49945  -195.34031  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -157.28897  -195.34031  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -191.91398  -195.34031  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -163.51341  -195.34031  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -190.69471  -195.34031  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -190.71566  -195.34031  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -190.55781  -195.34031  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -189.80718  -195.34031  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -189.82813  -195.34031  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -189.67028  -195.34031  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -188.02121  -195.34031  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -188.04915  -195.34031  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -187.83867  -195.34031  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -177.32249  -195.34031  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -177.35043  -195.34031  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -177.13995  -195.34031  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -179.08476  -195.34031  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -179.11270  -195.34031  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -178.90223  -195.34031  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -157.92809  -195.34031  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -157.95603  -195.34031  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -157.74555  -195.34031  125
  Found two species comparison        coes        wu       1.00000     0.50000  -192.37056  -195.34031  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -163.96999  -195.34031  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -191.15129  -195.34031  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -191.17224  -195.34031  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -191.01439  -195.34031  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -190.26376  -195.34031  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -190.28472  -195.34031  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -190.12686  -195.34031  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -185.29659  -195.34031  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -185.32453  -195.34031  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -185.11405  -195.34031  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -174.59787  -195.34031  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -174.62581  -195.34031  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -174.41534  -195.34031  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -176.36014  -195.34031  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -176.38808  -195.34031  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -176.17761  -195.34031  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -155.20347  -195.34031  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -155.23141  -195.34031  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -155.02093  -195.34031  145
  Found two species comparison        st          wu       1.00000     0.50000  -189.64594  -195.34031  146
  Found two species comparison        st          wuls     1.00000     0.50000  -161.24537  -195.34031  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -188.42667  -195.34031  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -188.44763  -195.34031  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -188.28977  -195.34031  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -187.53914  -195.34031  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -187.56010  -195.34031  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -187.40224  -195.34031  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -181.85884  -195.34031  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -181.88678  -195.34031  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -181.67630  -195.34031  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -171.16012  -195.34031  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -171.18806  -195.34031  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -170.97759  -195.34031  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -172.92239  -195.34031  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -172.95033  -195.34031  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -172.73986  -195.34031  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -151.76572  -195.34031  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -151.79366  -195.34031  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -151.58318  -195.34031  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -186.20819  -195.34031  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -157.80763  -195.34031  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -184.98892  -195.34031  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -185.00988  -195.34031  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -184.85202  -195.34031  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -184.10139  -195.34031  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -184.12235  -195.34031  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -183.96449  -195.34031  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -182.11338  -195.34031  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -182.12735  -195.34031  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -182.02211  -195.34031  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -176.76402  -195.34031  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -176.77799  -195.34031  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -176.67275  -195.34031  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -175.73398  -195.34031  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -175.74795  -195.34031  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -175.64271  -195.34031  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -165.15565  -195.34031  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -165.16962  -195.34031  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -165.06438  -195.34031  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -182.37688  -195.34031  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -168.17660  -195.34031  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -181.76725  -195.34031  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -181.77772  -195.34031  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -181.69879  -195.34031  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -181.32348  -195.34031  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -181.33396  -195.34031  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -181.25503  -195.34031  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -163.68172  -195.34031  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -163.69569  -195.34031  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -163.59045  -195.34031  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -176.94765  -195.34031  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -176.96162  -195.34031  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -176.85638  -195.34031  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -158.33236  -195.34031  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -158.34633  -195.34031  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -158.24109  -195.34031  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -171.59829  -195.34031  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -171.61226  -195.34031  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -171.50702  -195.34031  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -157.30232  -195.34031  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -157.31629  -195.34031  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -157.21105  -195.34031  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -146.72399  -195.34031  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -146.73796  -195.34031  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -146.63272  -195.34031  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -163.94522  -195.34031  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -149.74494  -195.34031  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -163.33559  -195.34031  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -163.34606  -195.34031  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -163.26713  -195.34031  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -162.89182  -195.34031  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -162.90230  -195.34031  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -162.82337  -195.34031  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -173.14060  -195.34031  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -173.15457  -195.34031  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -173.04933  -195.34031  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -163.81226  -195.34031  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -163.82623  -195.34031  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -163.72099  -195.34031  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -179.12232  -195.34031  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -164.92204  -195.34031  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -178.51269  -195.34031  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -178.52316  -195.34031  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -178.44424  -195.34031  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -178.06892  -195.34031  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -178.07940  -195.34031  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -178.00047  -195.34031  233
 112 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -194.44788         4.97000      1073.00000
  Found one species comparison        fa       1.00000  -194.25079  -194.44788    1
  Found one species comparison        fewa     1.00000  -194.10208  -194.44788    2
  Found one species comparison        feri     1.00000  -194.44788  -194.44788    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -191.29172  -194.44788    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -191.30625  -194.44788    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -191.20178  -194.44788    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -191.23223  -194.44788    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -191.24676  -194.44788    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -191.14228  -194.44788    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -185.90611  -194.44788   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -185.92064  -194.44788   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -185.81617  -194.44788   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -186.78515  -194.44788   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -186.79968  -194.44788   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -186.69520  -194.44788   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -176.21679  -194.44788   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -176.23132  -194.44788   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -176.12685  -194.44788   18
  Found two species comparison        fs          wu       0.50000     0.25000  -193.41563  -194.44788   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -179.24464  -194.44788   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -192.79267  -194.44788   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -192.80356  -194.44788   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -192.72521  -194.44788   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -192.36273  -194.44788   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -192.37363  -194.44788   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -192.29528  -194.44788   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -191.29628  -194.44788   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -191.31081  -194.44788   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -191.20633  -194.44788   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -191.23678  -194.44788   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -191.25131  -194.44788   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -191.14684  -194.44788   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -185.91067  -194.44788   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -185.92520  -194.44788   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -185.82072  -194.44788   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -186.78970  -194.44788   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -186.80423  -194.44788   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -186.69976  -194.44788   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -176.22135  -194.44788   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -176.23588  -194.44788   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -176.13141  -194.44788   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -193.42018  -194.44788   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -179.24919  -194.44788   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -192.79722  -194.44788   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -192.80812  -194.44788   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -192.72976  -194.44788   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -192.36729  -194.44788   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -192.37819  -194.44788   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -192.29983  -194.44788   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -186.11309  -194.44788   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -186.12761  -194.44788   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -186.02314  -194.44788   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -184.14242  -194.44788   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -184.15695  -194.44788   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -184.05247  -194.44788   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -178.81630  -194.44788   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -178.83083  -194.44788   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -178.72636  -194.44788   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -179.69534  -194.44788   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -179.70987  -194.44788   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -179.60539  -194.44788   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -169.12698  -194.44788   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -169.14151  -194.44788   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -169.03704  -194.44788   64
  Found two species comparison        feil        wu       1.00000     0.25000  -186.32582  -194.44788   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -172.15482  -194.44788   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -185.70286  -194.44788   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -185.71375  -194.44788   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -185.63540  -194.44788   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -185.27292  -194.44788   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -185.28382  -194.44788   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -185.20547  -194.44788   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -186.68761  -194.44788   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -186.71667  -194.44788   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -186.50773  -194.44788   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -187.17296  -194.44788   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -187.20202  -194.44788   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -186.99307  -194.44788   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -184.57351  -194.44788   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -184.60257  -194.44788   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -184.39363  -194.44788   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -181.14318  -194.44788   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -181.17223  -194.44788   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -180.96329  -194.44788   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -179.44750  -194.44788   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -179.46203  -194.44788   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -179.35755  -194.44788   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -161.02310  -194.44788   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -161.03763  -194.44788   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -160.93316  -194.44788   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -176.20564  -194.44788   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -176.22017  -194.44788   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -176.11570  -194.44788   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -186.56863  -194.44788   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -186.59768  -194.44788   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -186.38874  -194.44788   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -175.91640  -194.44788   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -175.94546  -194.44788   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -175.73651  -194.44788   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -177.67446  -194.44788  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -177.70352  -194.44788  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -177.49458  -194.44788  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -156.53776  -194.44788  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -156.56682  -194.44788  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -156.35787  -194.44788  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -190.93543  -194.44788  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -162.59344  -194.44788  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -189.68950  -194.44788  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -189.71130  -194.44788  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -189.55459  -194.44788  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -188.82964  -194.44788  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -188.85143  -194.44788  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -188.69472  -194.44788  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -187.05397  -194.44788  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -187.08303  -194.44788  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -186.87408  -194.44788  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -176.40174  -194.44788  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -176.43080  -194.44788  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -176.22186  -194.44788  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -178.15981  -194.44788  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -178.18887  -194.44788  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -177.97992  -194.44788  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -157.02311  -194.44788  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -157.05216  -194.44788  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -156.84322  -194.44788  125
  Found two species comparison        coes        wu       1.00000     0.50000  -191.42077  -194.44788  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -163.07879  -194.44788  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -190.17485  -194.44788  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -190.19664  -194.44788  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -190.03993  -194.44788  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -189.31498  -194.44788  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -189.33678  -194.44788  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -189.18007  -194.44788  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -184.45453  -194.44788  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -184.48359  -194.44788  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -184.27464  -194.44788  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -173.80230  -194.44788  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -173.83136  -194.44788  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -173.62241  -194.44788  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -175.56036  -194.44788  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -175.58942  -194.44788  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -175.38048  -194.44788  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -154.42366  -194.44788  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -154.45272  -194.44788  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -154.24377  -194.44788  145
  Found two species comparison        st          wu       1.00000     0.50000  -188.82133  -194.44788  146
  Found two species comparison        st          wuls     1.00000     0.50000  -160.47934  -194.44788  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -187.57541  -194.44788  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -187.59720  -194.44788  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -187.44049  -194.44788  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -186.71554  -194.44788  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -186.73733  -194.44788  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -186.58062  -194.44788  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -181.02419  -194.44788  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -181.05325  -194.44788  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -180.84430  -194.44788  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -170.37196  -194.44788  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -170.40102  -194.44788  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -170.19207  -194.44788  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -172.13002  -194.44788  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -172.15908  -194.44788  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -171.95014  -194.44788  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -150.99332  -194.44788  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -151.02238  -194.44788  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -150.81343  -194.44788  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -185.39099  -194.44788  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -157.04900  -194.44788  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -184.14507  -194.44788  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -184.16686  -194.44788  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -184.01015  -194.44788  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -183.28520  -194.44788  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -183.30699  -194.44788  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -183.15028  -194.44788  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -181.29918  -194.44788  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -181.31371  -194.44788  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -181.20923  -194.44788  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -175.97306  -194.44788  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -175.98759  -194.44788  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -175.88312  -194.44788  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -174.94092  -194.44788  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -174.95545  -194.44788  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -174.85098  -194.44788  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -164.37257  -194.44788  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -164.38710  -194.44788  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -164.28263  -194.44788  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -181.57140  -194.44788  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -167.40041  -194.44788  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -180.94844  -194.44788  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -180.95934  -194.44788  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -180.88098  -194.44788  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -180.51851  -194.44788  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -180.52941  -194.44788  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -180.45105  -194.44788  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -162.87478  -194.44788  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -162.88931  -194.44788  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -162.78484  -194.44788  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -176.14615  -194.44788  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -176.16068  -194.44788  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -176.05620  -194.44788  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -157.54867  -194.44788  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -157.56319  -194.44788  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -157.45872  -194.44788  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -170.82003  -194.44788  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -170.83456  -194.44788  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -170.73009  -194.44788  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -156.51652  -194.44788  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -156.53105  -194.44788  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -156.42658  -194.44788  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -145.94817  -194.44788  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -145.96270  -194.44788  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -145.85823  -194.44788  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -163.14701  -194.44788  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -148.97601  -194.44788  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -162.52404  -194.44788  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -162.53494  -194.44788  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -162.45659  -194.44788  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -162.09411  -194.44788  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -162.10501  -194.44788  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -162.02665  -194.44788  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -172.36024  -194.44788  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -172.37477  -194.44788  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -172.27030  -194.44788  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -163.04189  -194.44788  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -163.05642  -194.44788  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -162.95195  -194.44788  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -178.32955  -194.44788  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -164.15856  -194.44788  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -177.70659  -194.44788  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -177.71748  -194.44788  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -177.63913  -194.44788  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -177.27665  -194.44788  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -177.28755  -194.44788  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -177.20920  -194.44788  233
 113 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -201.92084         5.44000      1273.00000
  Found one species comparison        fa       1.00000  -201.74794  -201.92084    1
  Found one species comparison        fewa     1.00000  -201.62113  -201.92084    2
  Found one species comparison        feri     1.00000  -201.92084  -201.92084    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -198.58787  -201.92084    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -198.60761  -201.92084    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -198.48002  -201.92084    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -198.58767  -201.92084    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -198.60741  -201.92084    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -198.47982  -201.92084    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -193.05718  -201.92084   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -193.07692  -201.92084   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -192.94932  -201.92084   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -194.09037  -201.92084   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -194.11011  -201.92084   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -193.98252  -201.92084   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -183.41608  -201.92084   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -183.43581  -201.92084   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -183.30822  -201.92084   18
  Found two species comparison        fs          wu       0.50000     0.25000  -201.09875  -201.92084   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -186.44046  -201.92084   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -200.28504  -201.92084   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -200.29984  -201.92084   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -200.20415  -201.92084   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -199.87814  -201.92084   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -199.89294  -201.92084   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -199.79725  -201.92084   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -198.56325  -201.92084   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -198.58298  -201.92084   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -198.45539  -201.92084   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -198.56305  -201.92084   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -198.58278  -201.92084   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -198.45519  -201.92084   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -193.03256  -201.92084   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -193.05229  -201.92084   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -192.92470  -201.92084   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -194.06575  -201.92084   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -194.08548  -201.92084   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -193.95789  -201.92084   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -183.39145  -201.92084   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -183.41119  -201.92084   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -183.28360  -201.92084   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -201.07413  -201.92084   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -186.41583  -201.92084   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -200.26042  -201.92084   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -200.27522  -201.92084   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -200.17953  -201.92084   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -199.85352  -201.92084   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -199.86832  -201.92084   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -199.77262  -201.92084   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -193.70162  -201.92084   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -193.72136  -201.92084   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -193.59377  -201.92084   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -191.43402  -201.92084   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -191.45375  -201.92084   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -191.32616  -201.92084   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -185.90353  -201.92084   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -185.92326  -201.92084   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -185.79567  -201.92084   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -186.93672  -201.92084   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -186.95645  -201.92084   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -186.82886  -201.92084   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -176.26242  -201.92084   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -176.28216  -201.92084   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -176.15457  -201.92084   64
  Found two species comparison        feil        wu       1.00000     0.25000  -193.94510  -201.92084   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -179.28680  -201.92084   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -193.13139  -201.92084   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -193.14619  -201.92084   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -193.05050  -201.92084   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -192.72449  -201.92084   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -192.73929  -201.92084   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -192.64359  -201.92084   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -193.60088  -201.92084   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -193.64035  -201.92084   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -193.38516  -201.92084   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -194.16347  -201.92084   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -194.20294  -201.92084   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -193.94775  -201.92084   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -191.54185  -201.92084   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -191.58132  -201.92084   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -191.32614  -201.92084   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -188.06733  -201.92084   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -188.10680  -201.92084   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -187.85162  -201.92084   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -186.96312  -201.92084   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -186.98285  -201.92084   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -186.85526  -201.92084   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -168.44563  -201.92084   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -168.46536  -201.92084   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -168.33777  -201.92084   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -183.57002  -201.92084   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -183.58976  -201.92084   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -183.46217  -201.92084   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -193.60048  -201.92084   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -193.63995  -201.92084   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -193.38476  -201.92084   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -182.53949  -201.92084   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -182.57896  -201.92084   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -182.32378  -201.92084   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -184.60588  -201.92084  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -184.64534  -201.92084  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -184.39016  -201.92084  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -163.25728  -201.92084  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -163.29675  -201.92084  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -163.04157  -201.92084  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -198.62264  -201.92084  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -169.30604  -201.92084  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -196.99521  -201.92084  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -197.02482  -201.92084  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -196.83343  -201.92084  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -196.18141  -201.92084  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -196.21101  -201.92084  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -196.01962  -201.92084  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -194.16307  -201.92084  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -194.20253  -201.92084  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -193.94735  -201.92084  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -183.10208  -201.92084  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -183.14155  -201.92084  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -182.88637  -201.92084  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -185.16847  -201.92084  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -185.20793  -201.92084  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -184.95275  -201.92084  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -163.81987  -201.92084  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -163.85934  -201.92084  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -163.60416  -201.92084  125
  Found two species comparison        coes        wu       1.00000     0.50000  -199.18523  -201.92084  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -169.86863  -201.92084  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -197.55780  -201.92084  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -197.58740  -201.92084  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -197.39602  -201.92084  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -196.74400  -201.92084  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -196.77360  -201.92084  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -196.58221  -201.92084  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -191.54145  -201.92084  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -191.58092  -201.92084  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -191.32574  -201.92084  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -180.48047  -201.92084  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -180.51994  -201.92084  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -180.26475  -201.92084  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -182.54685  -201.92084  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -182.58632  -201.92084  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -182.33114  -201.92084  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -161.19825  -201.92084  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -161.23772  -201.92084  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -160.98254  -201.92084  145
  Found two species comparison        st          wu       1.00000     0.50000  -196.56361  -201.92084  146
  Found two species comparison        st          wuls     1.00000     0.50000  -167.24702  -201.92084  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -194.93619  -201.92084  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -194.96579  -201.92084  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -194.77440  -201.92084  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -194.12238  -201.92084  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -194.15198  -201.92084  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -193.96060  -201.92084  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -188.06693  -201.92084  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -188.10640  -201.92084  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -187.85122  -201.92084  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -177.00595  -201.92084  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -177.04542  -201.92084  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -176.79024  -201.92084  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -179.07233  -201.92084  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -179.11180  -201.92084  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -178.85662  -201.92084  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -157.72374  -201.92084  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -157.76321  -201.92084  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -157.50803  -201.92084  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -193.08910  -201.92084  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -163.77250  -201.92084  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -191.46167  -201.92084  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -191.49127  -201.92084  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -191.29989  -201.92084  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -190.64787  -201.92084  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -190.67747  -201.92084  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -190.48608  -201.92084  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -189.23032  -201.92084  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -189.25006  -201.92084  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -189.12247  -201.92084  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -183.69983  -201.92084  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -183.71956  -201.92084  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -183.59197  -201.92084  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -182.46562  -201.92084  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -182.48535  -201.92084  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -182.35776  -201.92084  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -171.79132  -201.92084  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -171.81105  -201.92084  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -171.68346  -201.92084  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -189.47400  -201.92084  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -174.81570  -201.92084  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -188.66029  -201.92084  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -188.67509  -201.92084  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -188.57939  -201.92084  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -188.25338  -201.92084  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -188.26818  -201.92084  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -188.17249  -201.92084  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -170.71283  -201.92084  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -170.73257  -201.92084  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -170.60497  -201.92084  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -183.56982  -201.92084  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -183.58956  -201.92084  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -183.46197  -201.92084  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -165.18234  -201.92084  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -165.20207  -201.92084  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -165.07448  -201.92084  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -178.03933  -201.92084  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -178.05907  -201.92084  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -177.93147  -201.92084  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -163.94813  -201.92084  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -163.96786  -201.92084  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -163.84027  -201.92084  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -153.27383  -201.92084  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -153.29356  -201.92084  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -153.16597  -201.92084  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -170.95651  -201.92084  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -156.29821  -201.92084  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -170.14280  -201.92084  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -170.15760  -201.92084  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -170.06190  -201.92084  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -169.73589  -201.92084  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -169.75069  -201.92084  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -169.65500  -201.92084  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -180.08993  -201.92084  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -180.10966  -201.92084  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -179.98207  -201.92084  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -170.66563  -201.92084  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -170.68536  -201.92084  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -170.55777  -201.92084  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -186.08090  -201.92084  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -171.42261  -201.92084  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -185.26719  -201.92084  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -185.28199  -201.92084  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -185.18630  -201.92084  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -184.86029  -201.92084  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -184.87509  -201.92084  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -184.77940  -201.92084  233
 114 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -202.33834         5.37000      1273.00000
  Found one species comparison        fa       1.00000  -202.20526  -202.33834    1
  Found one species comparison        fewa     1.00000  -202.04686  -202.33834    2
  Found one species comparison        feri     1.00000  -202.33834  -202.33834    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -199.03364  -202.33834    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -199.05314  -202.33834    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -198.92534  -202.33834    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -199.03534  -202.33834    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -199.05483  -202.33834    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -198.92703  -202.33834    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -193.49384  -202.33834   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -193.51334  -202.33834   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -193.38554  -202.33834   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -194.52824  -202.33834   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -194.54774  -202.33834   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -194.41993  -202.33834   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -183.84931  -202.33834   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -183.86880  -202.33834   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -183.74100  -202.33834   18
  Found two species comparison        fs          wu       0.50000     0.25000  -201.54219  -202.33834   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -186.87016  -202.33834   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -200.73458  -202.33834   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -200.74920  -202.33834   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -200.65335  -202.33834   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -200.32140  -202.33834   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -200.33602  -202.33834   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -200.24017  -202.33834   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -199.00399  -202.33834   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -199.02349  -202.33834   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -198.89568  -202.33834   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -199.00568  -202.33834   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -199.02518  -202.33834   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -198.89738  -202.33834   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -193.46419  -202.33834   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -193.48369  -202.33834   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -193.35588  -202.33834   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -194.49859  -202.33834   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -194.51808  -202.33834   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -194.39028  -202.33834   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -183.81965  -202.33834   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -183.83915  -202.33834   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -183.71135  -202.33834   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -201.51253  -202.33834   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -186.84051  -202.33834   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -200.70493  -202.33834   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -200.71955  -202.33834   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -200.62370  -202.33834   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -200.29175  -202.33834   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -200.30637  -202.33834   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -200.21052  -202.33834   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -194.09469  -202.33834   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -194.11418  -202.33834   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -193.98638  -202.33834   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -191.82898  -202.33834   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -191.84847  -202.33834   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -191.72067  -202.33834   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -186.28748  -202.33834   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -186.30698  -202.33834   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -186.17917  -202.33834   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -187.32188  -202.33834   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -187.34137  -202.33834   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -187.21357  -202.33834   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -176.64295  -202.33834   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -176.66244  -202.33834   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -176.53464  -202.33834   64
  Found two species comparison        feil        wu       1.00000     0.25000  -194.33583  -202.33834   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -179.66380  -202.33834   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -193.52822  -202.33834   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -193.54284  -202.33834   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -193.44699  -202.33834   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -193.11504  -202.33834   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -193.12966  -202.33834   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -193.03381  -202.33834   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -194.06304  -202.33834   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -194.10203  -202.33834   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -193.84642  -202.33834   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -194.61188  -202.33834   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -194.65087  -202.33834   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -194.39526  -202.33834   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -191.93290  -202.33834   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -191.97189  -202.33834   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -191.71628  -202.33834   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -188.45489  -202.33834   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -188.49389  -202.33834   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -188.23828  -202.33834   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -187.34279  -202.33834   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -187.36229  -202.33834   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -187.23448  -202.33834   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -168.82192  -202.33834   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -168.84142  -202.33834   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -168.71362  -202.33834   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -183.94397  -202.33834   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -183.96347  -202.33834   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -183.83566  -202.33834   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -194.06642  -202.33834   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -194.10542  -202.33834   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -193.84981  -202.33834   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -182.98343  -202.33834   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -183.02243  -202.33834   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -182.76682  -202.33834   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -185.05223  -202.33834  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -185.09122  -202.33834  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -184.83561  -202.33834  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -163.69436  -202.33834  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -163.73336  -202.33834  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -163.47775  -202.33834  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -199.08012  -202.33834  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -169.73608  -202.33834  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -197.46491  -202.33834  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -197.49415  -202.33834  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -197.30245  -202.33834  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -196.63855  -202.33834  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -196.66780  -202.33834  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -196.47609  -202.33834  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -194.61526  -202.33834  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -194.65426  -202.33834  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -194.39865  -202.33834  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -183.53227  -202.33834  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -183.57127  -202.33834  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -183.31566  -202.33834  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -185.60107  -202.33834  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -185.64006  -202.33834  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -185.38445  -202.33834  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -164.24320  -202.33834  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -164.28220  -202.33834  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -164.02659  -202.33834  125
  Found two species comparison        coes        wu       1.00000     0.50000  -199.62896  -202.33834  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -170.28492  -202.33834  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -198.01375  -202.33834  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -198.04300  -202.33834  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -197.85129  -202.33834  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -197.18739  -202.33834  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -197.21664  -202.33834  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -197.02493  -202.33834  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -191.93628  -202.33834  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -191.97528  -202.33834  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -191.71967  -202.33834  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -180.85329  -202.33834  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -180.89229  -202.33834  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -180.63668  -202.33834  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -182.92209  -202.33834  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -182.96108  -202.33834  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -182.70547  -202.33834  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -161.56422  -202.33834  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -161.60322  -202.33834  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -161.34761  -202.33834  145
  Found two species comparison        st          wu       1.00000     0.50000  -196.94998  -202.33834  146
  Found two species comparison        st          wuls     1.00000     0.50000  -167.60594  -202.33834  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -195.33477  -202.33834  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -195.36401  -202.33834  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -195.17231  -202.33834  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -194.50841  -202.33834  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -194.53766  -202.33834  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -194.34595  -202.33834  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -188.45828  -202.33834  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -188.49727  -202.33834  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -188.24166  -202.33834  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -177.37529  -202.33834  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -177.41428  -202.33834  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -177.15868  -202.33834  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -179.44408  -202.33834  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -179.48307  -202.33834  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -179.22747  -202.33834  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -158.08622  -202.33834  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -158.12521  -202.33834  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -157.86961  -202.33834  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -193.47198  -202.33834  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -164.12793  -202.33834  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -191.85677  -202.33834  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -191.88601  -202.33834  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -191.69431  -202.33834  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -191.03041  -202.33834  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -191.05965  -202.33834  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -190.86795  -202.33834  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -189.61189  -202.33834  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -189.63139  -202.33834  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -189.50358  -202.33834  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -184.07040  -202.33834  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -184.08989  -202.33834  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -183.96209  -202.33834  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -182.83739  -202.33834  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -182.85688  -202.33834  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -182.72908  -202.33834  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -172.15846  -202.33834  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -172.17795  -202.33834  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -172.05015  -202.33834  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -189.85134  -202.33834  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -175.17931  -202.33834  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -189.04373  -202.33834  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -189.05835  -202.33834  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -188.96250  -202.33834  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -188.63055  -202.33834  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -188.64517  -202.33834  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -188.54932  -202.33834  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -171.09102  -202.33834  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -171.11052  -202.33834  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -170.98272  -202.33834  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -183.94566  -202.33834  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -183.96516  -202.33834  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -183.83736  -202.33834  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -165.54953  -202.33834  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -165.56902  -202.33834  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -165.44122  -202.33834  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -178.40417  -202.33834  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -178.42367  -202.33834  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -178.29586  -202.33834  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -164.31652  -202.33834  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -164.33602  -202.33834  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -164.20821  -202.33834  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -153.63759  -202.33834  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -153.65708  -202.33834  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -153.52928  -202.33834  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -171.33047  -202.33834  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -156.65844  -202.33834  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -170.52286  -202.33834  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -170.53748  -202.33834  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -170.44163  -202.33834  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -170.10968  -202.33834  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -170.12430  -202.33834  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -170.02845  -202.33834  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -180.45597  -202.33834  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -180.47547  -202.33834  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -180.34766  -202.33834  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -171.02704  -202.33834  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -171.04654  -202.33834  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -170.91873  -202.33834  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -186.45252  -202.33834  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -171.78049  -202.33834  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -185.64491  -202.33834  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -185.65953  -202.33834  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -185.56368  -202.33834  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -185.23173  -202.33834  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -185.24635  -202.33834  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -185.15050  -202.33834  233
 115 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -208.56566         6.18000      1473.00000
  Found one species comparison        fa       1.00000  -208.26134  -208.56566    1
  Found one species comparison        fewa     1.00000  -208.28025  -208.56566    2
  Found one species comparison        feri     1.00000  -208.56566  -208.56566    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -204.96248  -208.56566    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -204.98083  -208.56566    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -204.83710  -208.56566    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -205.01540  -208.56566    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -205.03375  -208.56566    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -204.89002  -208.56566    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -199.32159  -208.56566   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -199.33993  -208.56566   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -199.19620  -208.56566   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -200.50895  -208.56566   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -200.52730  -208.56566   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -200.38357  -208.56566   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -189.74754  -208.56566   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -189.76589  -208.56566   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -189.62216  -208.56566   18
  Found two species comparison        fs          wu       0.50000     0.25000  -207.85401  -208.56566   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -192.76139  -208.56566   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -206.84485  -208.56566   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -206.85861  -208.56566   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -206.75081  -208.56566   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -206.48791  -208.56566   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -206.50167  -208.56566   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -206.39387  -208.56566   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -204.92977  -208.56566   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -204.94812  -208.56566   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -204.80439  -208.56566   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -204.98269  -208.56566   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -205.00103  -208.56566   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -204.85730  -208.56566   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -199.28887  -208.56566   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -199.30722  -208.56566   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -199.16349  -208.56566   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -200.47623  -208.56566   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -200.49458  -208.56566   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -200.35085  -208.56566   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -189.71482  -208.56566   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -189.73317  -208.56566   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -189.58944  -208.56566   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -207.82130  -208.56566   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -192.72867  -208.56566   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -206.81213  -208.56566   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -206.82589  -208.56566   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -206.71810  -208.56566   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -206.45519  -208.56566   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -206.46896  -208.56566   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -206.36116  -208.56566   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -200.57292  -208.56566   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -200.59127  -208.56566   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -200.44754  -208.56566   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -198.00220  -208.56566   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -198.02055  -208.56566   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -197.87682  -208.56566   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -192.30839  -208.56566   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -192.32674  -208.56566   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -192.18301  -208.56566   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -193.49575  -208.56566   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -193.51410  -208.56566   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -193.37037  -208.56566   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -182.73434  -208.56566   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -182.75269  -208.56566   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -182.60896  -208.56566   64
  Found two species comparison        feil        wu       1.00000     0.25000  -200.84081  -208.56566   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -185.74819  -208.56566   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -199.83165  -208.56566   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -199.84541  -208.56566   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -199.73762  -208.56566   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -199.47471  -208.56566   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -199.48847  -208.56566   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -199.38068  -208.56566   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -199.55729  -208.56566   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -199.59399  -208.56566   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -199.30653  -208.56566   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -200.24330  -208.56566   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -200.27999  -208.56566   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -199.99253  -208.56566   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -197.81962  -208.56566   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -197.85631  -208.56566   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -197.56886  -208.56566   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -194.31341  -208.56566   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -194.35010  -208.56566   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -194.06264  -208.56566   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -193.82069  -208.56566   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -193.83904  -208.56566   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -193.69531  -208.56566   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -175.22494  -208.56566   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -175.24328  -208.56566   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -175.09955  -208.56566   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -190.30446  -208.56566   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -190.32281  -208.56566   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -190.17908  -208.56566   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -199.66313  -208.56566   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -199.69982  -208.56566   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -199.41236  -208.56566   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -188.27550  -208.56566   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -188.31219  -208.56566   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -188.02473  -208.56566   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -190.65022  -208.56566  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -190.68692  -208.56566  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -190.39946  -208.56566  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -169.12740  -208.56566  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -169.16410  -208.56566  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -168.87664  -208.56566  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -205.34035  -208.56566  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -175.15510  -208.56566  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -203.32202  -208.56566  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -203.34954  -208.56566  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -203.13395  -208.56566  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -202.60814  -208.56566  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -202.63567  -208.56566  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -202.42007  -208.56566  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -200.34913  -208.56566  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -200.38582  -208.56566  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -200.09837  -208.56566  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -188.96150  -208.56566  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -188.99819  -208.56566  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -188.71074  -208.56566  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -191.33623  -208.56566  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -191.37292  -208.56566  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -191.08546  -208.56566  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -169.81340  -208.56566  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -169.85010  -208.56566  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -169.56264  -208.56566  125
  Found two species comparison        coes        wu       1.00000     0.50000  -206.02635  -208.56566  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -175.84111  -208.56566  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -204.00803  -208.56566  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -204.03555  -208.56566  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -203.81995  -208.56566  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -203.29415  -208.56566  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -203.32167  -208.56566  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -203.10607  -208.56566  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -197.92545  -208.56566  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -197.96214  -208.56566  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -197.67469  -208.56566  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -186.53782  -208.56566  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -186.57452  -208.56566  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -186.28706  -208.56566  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -188.91255  -208.56566  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -188.94924  -208.56566  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -188.66178  -208.56566  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -167.38973  -208.56566  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -167.42642  -208.56566  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -167.13896  -208.56566  145
  Found two species comparison        st          wu       1.00000     0.50000  -203.60267  -208.56566  146
  Found two species comparison        st          wuls     1.00000     0.50000  -173.41743  -208.56566  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -201.58435  -208.56566  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -201.61187  -208.56566  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -201.39628  -208.56566  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -200.87047  -208.56566  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -200.89799  -208.56566  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -200.68240  -208.56566  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -194.41924  -208.56566  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -194.45593  -208.56566  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -194.16848  -208.56566  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -183.03161  -208.56566  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -183.06831  -208.56566  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -182.78085  -208.56566  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -185.40634  -208.56566  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -185.44303  -208.56566  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -185.15557  -208.56566  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -163.88351  -208.56566  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -163.92021  -208.56566  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -163.63275  -208.56566  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -200.09646  -208.56566  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -169.91122  -208.56566  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -198.07814  -208.56566  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -198.10566  -208.56566  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -197.89007  -208.56566  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -197.36426  -208.56566  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -197.39178  -208.56566  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -197.17619  -208.56566  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -196.49724  -208.56566  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -196.51559  -208.56566  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -196.37186  -208.56566  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -190.80342  -208.56566  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -190.82177  -208.56566  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -190.67804  -208.56566  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -189.36715  -208.56566  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -189.38550  -208.56566  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -189.24177  -208.56566  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -178.60574  -208.56566  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -178.62409  -208.56566  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -178.48036  -208.56566  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -196.71221  -208.56566  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -181.61959  -208.56566  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -195.70305  -208.56566  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -195.71681  -208.56566  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -195.60902  -208.56566  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -195.34611  -208.56566  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -195.35987  -208.56566  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -195.25208  -208.56566  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -177.90149  -208.56566  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -177.91983  -208.56566  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -177.77611  -208.56566  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -190.35737  -208.56566  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -190.37572  -208.56566  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -190.23199  -208.56566  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -172.20767  -208.56566  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -172.22602  -208.56566  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -172.08229  -208.56566  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -184.66356  -208.56566  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -184.68191  -208.56566  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -184.53818  -208.56566  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -170.77140  -208.56566  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -170.78975  -208.56566  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -170.64602  -208.56566  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -160.00999  -208.56566  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -160.02834  -208.56566  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -159.88461  -208.56566  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -178.11646  -208.56566  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -163.02384  -208.56566  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -177.10730  -208.56566  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -177.12106  -208.56566  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -177.01326  -208.56566  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -176.75036  -208.56566  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -176.76412  -208.56566  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -176.65633  -208.56566  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -187.22456  -208.56566  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -187.24290  -208.56566  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -187.09918  -208.56566  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -177.71315  -208.56566  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -177.73149  -208.56566  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -177.58776  -208.56566  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -193.19598  -208.56566  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -178.10336  -208.56566  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -192.18682  -208.56566  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -192.20058  -208.56566  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -192.09279  -208.56566  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -191.82988  -208.56566  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -191.84364  -208.56566  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -191.73585  -208.56566  233
 116 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -210.71747         5.82000      1473.00000
  Found one species comparison        fa       1.00000  -210.61671  -210.71747    1
  Found one species comparison        fewa     1.00000  -210.47470  -210.71747    2
  Found one species comparison        feri     1.00000  -210.71747  -210.71747    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -207.25623  -210.71747    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -207.27348  -210.71747    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -207.12954  -210.71747    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -207.31951  -210.71747    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -207.33676  -210.71747    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -207.19282  -210.71747    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -201.56842  -210.71747   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -201.58567  -210.71747   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -201.44173  -210.71747   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -202.76323  -210.71747   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -202.78048  -210.71747   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -202.63654  -210.71747   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -191.97816  -210.71747   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -191.99541  -210.71747   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -191.85147  -210.71747   18
  Found two species comparison        fs          wu       0.50000     0.25000  -210.13555  -210.71747   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -194.97213  -210.71747   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -209.15724  -210.71747   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -209.17018  -210.71747   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -209.06222  -210.71747   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -208.76895  -210.71747   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -208.78189  -210.71747   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -208.67394  -210.71747   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -207.20258  -210.71747   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -207.21984  -210.71747   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -207.07590  -210.71747   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -207.26586  -210.71747   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -207.28312  -210.71747   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -207.13918  -210.71747   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -201.51477  -210.71747   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -201.53202  -210.71747   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -201.38808  -210.71747   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -202.70958  -210.71747   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -202.72684  -210.71747   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -202.58290  -210.71747   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -191.92451  -210.71747   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -191.94176  -210.71747   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -191.79783  -210.71747   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -210.08190  -210.71747   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -194.91848  -210.71747   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -209.10359  -210.71747   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -209.11653  -210.71747   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -209.00858  -210.71747   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -208.71531  -210.71747   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -208.72824  -210.71747   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -208.62029  -210.71747   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -202.60031  -210.71747   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -202.61757  -210.71747   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -202.47363  -210.71747   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -200.03996  -210.71747   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -200.05721  -210.71747   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -199.91327  -210.71747   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -194.28887  -210.71747   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -194.30612  -210.71747   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -194.16218  -210.71747   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -195.48368  -210.71747   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -195.50093  -210.71747   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -195.35699  -210.71747   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -184.69861  -210.71747   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -184.71586  -210.71747   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -184.57192  -210.71747   64
  Found two species comparison        feil        wu       1.00000     0.25000  -202.85599  -210.71747   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -187.69257  -210.71747   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -201.87769  -210.71747   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -201.89063  -210.71747   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -201.78267  -210.71747   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -201.48940  -210.71747   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -201.50234  -210.71747   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -201.39439  -210.71747   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -201.93710  -210.71747   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -201.97160  -210.71747   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -201.68372  -210.71747   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -202.55114  -210.71747   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -202.58564  -210.71747   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -202.29776  -210.71747   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -199.83848  -210.71747   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -199.87299  -210.71747   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -199.58511  -210.71747   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -196.31418  -210.71747   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -196.34868  -210.71747   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -196.06080  -210.71747   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -195.78036  -210.71747   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -195.79761  -210.71747   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -195.65368  -210.71747   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -177.16731  -210.71747   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -177.18456  -210.71747   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -177.04063  -210.71747   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -192.23591  -210.71747   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -192.25316  -210.71747   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -192.10922  -210.71747   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -202.06366  -210.71747   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -202.09816  -210.71747   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -201.81029  -210.71747   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -190.56147  -210.71747   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -190.59597  -210.71747   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -190.30810  -210.71747   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -192.95110  -210.71747  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -192.98560  -210.71747  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -192.69772  -210.71747  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -171.38096  -210.71747  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -171.41546  -210.71747  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -171.12758  -210.71747  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -207.69573  -210.71747  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -177.36889  -210.71747  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -205.73912  -210.71747  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -205.76499  -210.71747  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -205.54908  -210.71747  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -204.96254  -210.71747  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -204.98842  -210.71747  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -204.77251  -210.71747  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -202.67770  -210.71747  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -202.71220  -210.71747  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -202.42432  -210.71747  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -191.17551  -210.71747  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -191.21001  -210.71747  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -190.92213  -210.71747  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -193.56514  -210.71747  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -193.59964  -210.71747  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -193.31176  -210.71747  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -171.99499  -210.71747  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -172.02950  -210.71747  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -171.74162  -210.71747  125
  Found two species comparison        coes        wu       1.00000     0.50000  -208.30976  -210.71747  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -177.98292  -210.71747  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -206.35315  -210.71747  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -206.37903  -210.71747  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -206.16312  -210.71747  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -205.57658  -210.71747  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -205.60246  -210.71747  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -205.38655  -210.71747  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -199.96504  -210.71747  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -199.99955  -210.71747  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -199.71167  -210.71747  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -188.46285  -210.71747  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -188.49736  -210.71747  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -188.20948  -210.71747  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -190.85248  -210.71747  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -190.88699  -210.71747  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -190.59911  -210.71747  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -169.28234  -210.71747  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -169.31684  -210.71747  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -169.02897  -210.71747  145
  Found two species comparison        st          wu       1.00000     0.50000  -205.59711  -210.71747  146
  Found two species comparison        st          wuls     1.00000     0.50000  -175.27027  -210.71747  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -203.64050  -210.71747  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -203.66638  -210.71747  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -203.45047  -210.71747  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -202.86393  -210.71747  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -202.88980  -210.71747  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -202.67389  -210.71747  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -196.44074  -210.71747  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -196.47524  -210.71747  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -196.18736  -210.71747  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -184.93855  -210.71747  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -184.97305  -210.71747  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -184.68517  -210.71747  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -187.32818  -210.71747  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -187.36268  -210.71747  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -187.07480  -210.71747  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -165.75804  -210.71747  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -165.79254  -210.71747  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -165.50466  -210.71747  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -202.07281  -210.71747  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -171.74597  -210.71747  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -200.11620  -210.71747  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -200.14207  -210.71747  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -199.92616  -210.71747  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -199.33962  -210.71747  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -199.36550  -210.71747  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -199.14959  -210.71747  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -198.46728  -210.71747  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -198.48453  -210.71747  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -198.34059  -210.71747  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -192.71618  -210.71747  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -192.73343  -210.71747  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -192.58950  -210.71747  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -191.28736  -210.71747  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -191.30461  -210.71747  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -191.16068  -210.71747  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -180.50229  -210.71747  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -180.51954  -210.71747  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -180.37560  -210.71747  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -198.65968  -210.71747  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -183.49626  -210.71747  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -197.68137  -210.71747  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -197.69431  -210.71747  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -197.58636  -210.71747  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -197.29308  -210.71747  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -197.30602  -210.71747  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -197.19807  -210.71747  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -179.85423  -210.71747  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -179.87148  -210.71747  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -179.72754  -210.71747  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -192.29919  -210.71747  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -192.31644  -210.71747  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -192.17250  -210.71747  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -174.10313  -210.71747  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -174.12038  -210.71747  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -173.97645  -210.71747  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -186.54809  -210.71747  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -186.56534  -210.71747  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -186.42140  -210.71747  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -172.67431  -210.71747  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -172.69156  -210.71747  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -172.54763  -210.71747  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -161.88924  -210.71747  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -161.90649  -210.71747  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -161.76255  -210.71747  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -180.04663  -210.71747  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -164.88321  -210.71747  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -179.06832  -210.71747  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -179.08126  -210.71747  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -178.97331  -210.71747  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -178.68003  -210.71747  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -178.69297  -210.71747  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -178.58502  -210.71747  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -189.11654  -210.71747  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -189.13379  -210.71747  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -188.98985  -210.71747  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -179.58147  -210.71747  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -179.59872  -210.71747  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -179.45478  -210.71747  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -195.11522  -210.71747  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -179.95180  -210.71747  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -194.13692  -210.71747  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -194.14985  -210.71747  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -194.04190  -210.71747  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -193.74863  -210.71747  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -193.76157  -210.71747  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -193.65361  -210.71747  233
 117 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -178.97462         5.29000       773.00000
  Found one species comparison        fa       1.00000  -178.16137  -178.97462    1
  Found one species comparison        fewa     1.00000  -178.44843  -178.97462    2
  Found one species comparison        feri     1.00000  -178.97462  -178.97462    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -175.79354  -178.97462    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -175.75526  -178.97462    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -175.70363  -178.97462    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -175.55613  -178.97462    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -175.51784  -178.97462    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -175.46621  -178.97462    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -170.68468  -178.97462   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -170.64639  -178.97462   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -170.59476  -178.97462   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -171.33258  -178.97462   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -171.29429  -178.97462   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -171.24266  -178.97462   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -160.99272  -178.97462   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -160.95443  -178.97462   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -160.90280  -178.97462   18
  Found two species comparison        fs          wu       0.50000     0.25000  -177.23807  -178.97462   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -163.99409  -178.97462   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -176.92637  -178.97462   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -176.89765  -178.97462   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -176.85893  -178.97462   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -176.56631  -178.97462   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -176.53759  -178.97462   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -176.49887  -178.97462   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -175.95577  -178.97462   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -175.91748  -178.97462   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -175.86585  -178.97462   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -175.71835  -178.97462   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -175.68007  -178.97462   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -175.62844  -178.97462   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -170.84691  -178.97462   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -170.80862  -178.97462   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -170.75699  -178.97462   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -171.49480  -178.97462   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -171.45652  -178.97462   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -171.40489  -178.97462   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -161.15494  -178.97462   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -161.11666  -178.97462   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -161.06503  -178.97462   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -177.40030  -178.97462   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -164.15631  -178.97462   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -177.08859  -178.97462   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -177.05988  -178.97462   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -177.02115  -178.97462   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -176.72853  -178.97462   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -176.69982  -178.97462   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -176.66110  -178.97462   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -170.96657  -178.97462   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -170.92828  -178.97462   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -170.87665  -178.97462   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -169.35232  -178.97462   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -169.31404  -178.97462   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -169.26241  -178.97462   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -164.48088  -178.97462   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -164.44259  -178.97462   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -164.39096  -178.97462   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -165.12877  -178.97462   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -165.09049  -178.97462   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -165.03885  -178.97462   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -154.78891  -178.97462   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -154.75063  -178.97462   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -154.69900  -178.97462   64
  Found two species comparison        feil        wu       1.00000     0.25000  -171.03427  -178.97462   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -157.79028  -178.97462   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -170.72256  -178.97462   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -170.69385  -178.97462   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -170.65512  -178.97462   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -170.36250  -178.97462   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -170.33379  -178.97462   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -170.29507  -178.97462   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -171.70421  -178.97462   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -171.62764  -178.97462   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -171.52438  -178.97462   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -172.23573  -178.97462   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -172.15915  -178.97462   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -172.05589  -178.97462   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -170.53336  -178.97462   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -170.45679  -178.97462   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -170.35353  -178.97462   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -167.21562  -178.97462   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -167.13905  -178.97462   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -167.03579  -178.97462   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -164.62843  -178.97462   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -164.59014  -178.97462   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -164.53851  -178.97462   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -146.39933  -178.97462   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -146.36105  -178.97462   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -146.30941  -178.97462   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -161.71222  -178.97462   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -161.67393  -178.97462   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -161.62230  -178.97462   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -171.22938  -178.97462   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -171.15281  -178.97462   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -171.04955  -178.97462   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -161.48649  -178.97462   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -161.40992  -178.97462   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -161.30665  -178.97462   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -162.78228  -178.97462  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -162.70571  -178.97462  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -162.60245  -178.97462  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -142.10256  -178.97462  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -142.02599  -178.97462  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -141.92273  -178.97462  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -174.59328  -178.97462  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -148.10530  -178.97462  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -173.96986  -178.97462  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -173.91243  -178.97462  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -173.83498  -178.97462  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -173.24974  -178.97462  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -173.19232  -178.97462  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -173.11487  -178.97462  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -171.76089  -178.97462  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -171.68432  -178.97462  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -171.58106  -178.97462  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -162.01800  -178.97462  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -161.94143  -178.97462  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -161.83816  -178.97462  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -163.31379  -178.97462  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -163.23722  -178.97462  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -163.13396  -178.97462  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -142.63407  -178.97462  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -142.55750  -178.97462  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -142.45424  -178.97462  125
  Found two species comparison        coes        wu       1.00000     0.50000  -175.12479  -178.97462  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -148.63681  -178.97462  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -174.50137  -178.97462  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -174.44394  -178.97462  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -174.36649  -178.97462  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -173.78125  -178.97462  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -173.72383  -178.97462  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -173.64638  -178.97462  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -170.05853  -178.97462  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -169.98196  -178.97462  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -169.87870  -178.97462  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -160.31564  -178.97462  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -160.23907  -178.97462  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -160.13580  -178.97462  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -161.61143  -178.97462  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -161.53486  -178.97462  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -161.43160  -178.97462  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -140.93171  -178.97462  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -140.85514  -178.97462  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -140.75188  -178.97462  145
  Found two species comparison        st          wu       1.00000     0.50000  -173.42242  -178.97462  146
  Found two species comparison        st          wuls     1.00000     0.50000  -146.93445  -178.97462  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -172.79901  -178.97462  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -172.74158  -178.97462  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -172.66413  -178.97462  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -172.07889  -178.97462  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -172.02146  -178.97462  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -171.94402  -178.97462  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -166.74079  -178.97462  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -166.66422  -178.97462  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -166.56096  -178.97462  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -156.99789  -178.97462  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -156.92132  -178.97462  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -156.81806  -178.97462  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -158.29369  -178.97462  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -158.21712  -178.97462  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -158.11385  -178.97462  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -137.61397  -178.97462  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -137.53740  -178.97462  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -137.43413  -178.97462  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -170.10468  -178.97462  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -143.61671  -178.97462  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -169.48126  -178.97462  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -169.42384  -178.97462  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -169.34639  -178.97462  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -168.76115  -178.97462  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -168.70372  -178.97462  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -168.62627  -178.97462  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -165.76784  -178.97462  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -165.72956  -178.97462  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -165.67793  -178.97462  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -160.89640  -178.97462  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -160.85811  -178.97462  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -160.80648  -178.97462  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -160.16746  -178.97462  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -160.12918  -178.97462  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -160.07755  -178.97462  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -149.82760  -178.97462  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -149.78932  -178.97462  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -149.73769  -178.97462  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -166.07296  -178.97462  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -152.82897  -178.97462  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -165.76125  -178.97462  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -165.73254  -178.97462  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -165.69381  -178.97462  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -165.40119  -178.97462  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -165.37248  -178.97462  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -165.33376  -178.97462  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -147.53874  -178.97462  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -147.50046  -178.97462  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -147.44883  -178.97462  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -161.47480  -178.97462  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -161.43651  -178.97462  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -161.38488  -178.97462  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -142.66730  -178.97462  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -142.62901  -178.97462  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -142.57738  -178.97462  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -156.60335  -178.97462  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -156.56507  -178.97462  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -156.51344  -178.97462  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -141.93836  -178.97462  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -141.90008  -178.97462  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -141.84845  -178.97462  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -131.59850  -178.97462  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -131.56022  -178.97462  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -131.50859  -178.97462  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -147.84386  -178.97462  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -134.59987  -178.97462  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -147.53215  -178.97462  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -147.50344  -178.97462  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -147.46471  -178.97462  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -147.17210  -178.97462  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -147.14338  -178.97462  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -147.10466  -178.97462  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -157.37808  -178.97462  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -157.33979  -178.97462  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -157.28816  -178.97462  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -148.28822  -178.97462  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -148.24993  -178.97462  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -148.19830  -178.97462  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -163.15675  -178.97462  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -149.91276  -178.97462  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -162.84504  -178.97462  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -162.81632  -178.97462  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -162.77760  -178.97462  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -162.48498  -178.97462  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -162.45627  -178.97462  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -162.41754  -178.97462  233
 118 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -188.96881         4.32000       873.00000
  Found one species comparison        fa       1.00000  -188.84836  -188.96881    1
  Found one species comparison        fewa     1.00000  -188.59795  -188.96881    2
  Found one species comparison        feri     1.00000  -188.96881  -188.96881    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -186.11651  -188.96881    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -186.09937  -188.96881    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -186.02244  -188.96881    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -185.98289  -188.96881    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -185.96575  -188.96881    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -185.88883  -188.96881    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -180.83129  -188.96881   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -180.81415  -188.96881   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -180.73722  -188.96881   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -181.56327  -188.96881   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -181.54613  -188.96881   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -181.46921  -188.96881   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -171.08954  -188.96881   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -171.07240  -188.96881   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -170.99548  -188.96881   18
  Found two species comparison        fs          wu       0.50000     0.25000  -187.79410  -188.96881   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -174.07499  -188.96881   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -187.42836  -188.96881   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -187.41550  -188.96881   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -187.35781  -188.96881   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -186.96160  -188.96881   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -186.94874  -188.96881   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -186.89105  -188.96881   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -186.13752  -188.96881   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -186.12038  -188.96881   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -186.04345  -188.96881   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -186.00391  -188.96881   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -185.98676  -188.96881   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -185.90984  -188.96881   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -180.85230  -188.96881   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -180.83516  -188.96881   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -180.75823  -188.96881   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -181.58429  -188.96881   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -181.56714  -188.96881   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -181.49022  -188.96881   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -171.11056  -188.96881   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -171.09341  -188.96881   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -171.01649  -188.96881   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -187.81511  -188.96881   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -174.09600  -188.96881   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -187.44937  -188.96881   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -187.43652  -188.96881   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -187.37882  -188.96881   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -186.98261  -188.96881   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -186.96976  -188.96881   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -186.91206  -188.96881   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -180.50885  -188.96881   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -180.49171  -188.96881   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -180.41478  -188.96881   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -178.82029  -188.96881   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -178.80315  -188.96881   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -178.72622  -188.96881   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -173.66869  -188.96881   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -173.65154  -188.96881   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -173.57462  -188.96881   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -174.40067  -188.96881   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -174.38353  -188.96881   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -174.30661  -188.96881   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -163.92694  -188.96881   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -163.90980  -188.96881   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -163.83288  -188.96881   64
  Found two species comparison        feil        wu       1.00000     0.25000  -180.63149  -188.96881   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -166.91239  -188.96881   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -180.26576  -188.96881   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -180.25290  -188.96881   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -180.19521  -188.96881   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -179.79900  -188.96881   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -179.78614  -188.96881   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -179.72845  -188.96881   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -182.00163  -188.96881   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -181.96735  -188.96881   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -181.81350  -188.96881   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -182.36840  -188.96881   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -182.33411  -188.96881   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -182.18026  -188.96881   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -179.63835  -188.96881   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -179.60407  -188.96881   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -179.45022  -188.96881   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -176.24178  -188.96881   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -176.20749  -188.96881   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -176.05364  -188.96881   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -173.88978  -188.96881   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -173.87264  -188.96881   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -173.79571  -188.96881   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -155.55253  -188.96881   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -155.53539  -188.96881   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -155.45847  -188.96881   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -170.78865  -188.96881   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -170.77151  -188.96881   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -170.69459  -188.96881   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -181.73440  -188.96881   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -181.70012  -188.96881   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -181.54627  -188.96881   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -171.43119  -188.96881   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -171.39691  -188.96881   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -171.24306  -188.96881   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -172.89516  -188.96881  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -172.86088  -188.96881  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -172.70703  -188.96881  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -151.94770  -188.96881  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -151.91342  -188.96881  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -151.75957  -188.96881  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -185.35681  -188.96881  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -157.91859  -188.96881  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -184.62533  -188.96881  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -184.59962  -188.96881  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -184.48423  -188.96881  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -183.69181  -188.96881  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -183.66610  -188.96881  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -183.55071  -188.96881  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -182.10117  -188.96881  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -182.06689  -188.96881  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -181.91304  -188.96881  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -171.79796  -188.96881  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -171.76368  -188.96881  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -171.60982  -188.96881  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -173.26193  -188.96881  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -173.22765  -188.96881  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -173.07380  -188.96881  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -152.31447  -188.96881  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -152.28019  -188.96881  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -152.12634  -188.96881  125
  Found two species comparison        coes        wu       1.00000     0.50000  -185.72357  -188.96881  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -158.28536  -188.96881  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -184.99210  -188.96881  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -184.96639  -188.96881  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -184.85100  -188.96881  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -184.05858  -188.96881  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -184.03287  -188.96881  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -183.91748  -188.96881  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -179.37112  -188.96881  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -179.33684  -188.96881  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -179.18299  -188.96881  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -169.06791  -188.96881  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -169.03363  -188.96881  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -168.87978  -188.96881  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -170.53188  -188.96881  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -170.49760  -188.96881  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -170.34375  -188.96881  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -149.58442  -188.96881  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -149.55014  -188.96881  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -149.39629  -188.96881  145
  Found two species comparison        st          wu       1.00000     0.50000  -182.99353  -188.96881  146
  Found two species comparison        st          wuls     1.00000     0.50000  -155.55531  -188.96881  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -182.26205  -188.96881  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -182.23634  -188.96881  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -182.12095  -188.96881  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -181.32853  -188.96881  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -181.30282  -188.96881  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -181.18744  -188.96881  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -175.97455  -188.96881  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -175.94027  -188.96881  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -175.78642  -188.96881  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -165.67134  -188.96881  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -165.63706  -188.96881  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -165.48321  -188.96881  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -167.13531  -188.96881  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -167.10103  -188.96881  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -166.94718  -188.96881  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -146.18785  -188.96881  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -146.15357  -188.96881  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -145.99972  -188.96881  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -179.59695  -188.96881  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -152.15874  -188.96881  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -178.86548  -188.96881  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -178.83977  -188.96881  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -178.72438  -188.96881  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -177.93196  -188.96881  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -177.90625  -188.96881  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -177.79086  -188.96881  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -175.31111  -188.96881  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -175.29397  -188.96881  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -175.21704  -188.96881  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -170.15950  -188.96881  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -170.14236  -188.96881  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -170.06544  -188.96881  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -169.33654  -188.96881  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -169.31940  -188.96881  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -169.24248  -188.96881  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -158.86281  -188.96881  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -158.84567  -188.96881  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -158.76875  -188.96881  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -175.56736  -188.96881  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -161.84826  -188.96881  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -175.20163  -188.96881  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -175.18877  -188.96881  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -175.13108  -188.96881  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -174.73487  -188.96881  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -174.72201  -188.96881  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -174.66432  -188.96881  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -156.97386  -188.96881  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -156.95672  -188.96881  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -156.87980  -188.96881  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -170.65504  -188.96881  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -170.63790  -188.96881  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -170.56097  -188.96881  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -151.82226  -188.96881  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -151.80512  -188.96881  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -151.72819  -188.96881  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -165.50343  -188.96881  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -165.48629  -188.96881  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -165.40937  -188.96881  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -150.99930  -188.96881  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -150.98216  -188.96881  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -150.90523  -188.96881  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -140.52557  -188.96881  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -140.50843  -188.96881  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -140.43150  -188.96881  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -157.23012  -188.96881  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -143.51101  -188.96881  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -156.86438  -188.96881  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -156.85153  -188.96881  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -156.79383  -188.96881  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -156.39763  -188.96881  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -156.38477  -188.96881  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -156.32708  -188.96881  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -166.54037  -188.96881  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -166.52322  -188.96881  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -166.44630  -188.96881  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -157.31664  -188.96881  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -157.29949  -188.96881  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -157.22257  -188.96881  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -172.46624  -188.96881  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -158.74713  -188.96881  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -172.10051  -188.96881  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -172.08765  -188.96881  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -172.02996  -188.96881  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -171.63375  -188.96881  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -171.62089  -188.96881  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -171.56320  -188.96881  233
 119 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -187.56750         6.13000      1073.00000
  Found one species comparison        fa       1.00000  -186.72198  -187.56750    1
  Found one species comparison        fewa     1.00000  -187.09267  -187.56750    2
  Found one species comparison        feri     1.00000  -187.56750  -187.56750    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -183.94820  -187.56750    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -183.96706  -187.56750    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -183.86868  -187.56750    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -183.86231  -187.56750    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -183.88117  -187.56750    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -183.78279  -187.56750    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -178.71275  -187.56750   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -178.73161  -187.56750   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -178.63322  -187.56750   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -179.57668  -187.56750   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -179.59554  -187.56750   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -179.49716  -187.56750   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -169.08530  -187.56750   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -169.10416  -187.56750   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -169.00577  -187.56750   18
  Found two species comparison        fs          wu       0.50000     0.25000  -186.11177  -187.56750   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -172.16505  -187.56750   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -185.38506  -187.56750   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -185.39921  -187.56750   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -185.32542  -187.56750   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -185.06227  -187.56750   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -185.07642  -187.56750   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -185.00263  -187.56750   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -184.04911  -187.56750   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -184.06797  -187.56750   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -183.96958  -187.56750   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -183.96322  -187.56750   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -183.98208  -187.56750   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -183.88369  -187.56750   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -178.81365  -187.56750   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -178.83252  -187.56750   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -178.73413  -187.56750   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -179.67759  -187.56750   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -179.69645  -187.56750   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -179.59806  -187.56750   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -169.18620  -187.56750   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -169.20507  -187.56750   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -169.10668  -187.56750   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -186.21267  -187.56750   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -172.26595  -187.56750   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -185.48596  -187.56750   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -185.50011  -187.56750   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -185.42632  -187.56750   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -185.16318  -187.56750   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -185.17732  -187.56750   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -185.10353  -187.56750   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -179.64098  -187.56750   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -179.65984  -187.56750   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -179.56146  -187.56750   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -177.64392  -187.56750   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -177.66278  -187.56750   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -177.56439  -187.56750   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -172.49436  -187.56750   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -172.51322  -187.56750   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -172.41483  -187.56750   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -173.35829  -187.56750   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -173.37715  -187.56750   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -173.27876  -187.56750   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -162.86691  -187.56750   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -162.88577  -187.56750   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -162.78738  -187.56750   64
  Found two species comparison        feil        wu       1.00000     0.25000  -179.89338  -187.56750   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -165.94665  -187.56750   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -179.16667  -187.56750   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -179.18081  -187.56750   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -179.10702  -187.56750   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -178.84388  -187.56750   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -178.85803  -187.56750   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -178.78424  -187.56750   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -179.09236  -187.56750   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -179.13008  -187.56750   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -178.93331  -187.56750   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -179.78347  -187.56750   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -179.82119  -187.56750   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -179.62442  -187.56750   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -178.13870  -187.56750   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -178.17642  -187.56750   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -177.97965  -187.56750   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -174.76521  -187.56750   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -174.80293  -187.56750   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -174.60616  -187.56750   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -173.19718  -187.56750   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -173.21605  -187.56750   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -173.11766  -187.56750   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -154.82883  -187.56750   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -154.84769  -187.56750   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -154.74931  -187.56750   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -170.05299  -187.56750   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -170.07185  -187.56750   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -169.97347  -187.56750   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -178.92058  -187.56750   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -178.95830  -187.56750   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -178.76153  -187.56750   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -168.62145  -187.56750   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -168.65918  -187.56750   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -168.46240  -187.56750   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -170.34932  -187.56750  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -170.38704  -187.56750  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -170.19027  -187.56750  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -149.36655  -187.56750  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -149.40428  -187.56750  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -149.20750  -187.56750  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -183.41949  -187.56750  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -155.52605  -187.56750  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -181.96607  -187.56750  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -181.99437  -187.56750  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -181.84679  -187.56750  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -181.32050  -187.56750  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -181.34880  -187.56750  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -181.20122  -187.56750  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -179.61169  -187.56750  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -179.64941  -187.56750  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -179.45264  -187.56750  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -169.31256  -187.56750  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -169.35029  -187.56750  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -169.15351  -187.56750  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -171.04043  -187.56750  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -171.07815  -187.56750  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -170.88138  -187.56750  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -150.05766  -187.56750  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -150.09539  -187.56750  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -149.89861  -187.56750  125
  Found two species comparison        coes        wu       1.00000     0.50000  -184.11060  -187.56750  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -156.21715  -187.56750  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -182.65718  -187.56750  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -182.68547  -187.56750  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -182.53789  -187.56750  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -182.01161  -187.56750  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -182.03990  -187.56750  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -181.89232  -187.56750  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -177.96692  -187.56750  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -178.00464  -187.56750  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -177.80787  -187.56750  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -167.66779  -187.56750  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -167.70551  -187.56750  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -167.50874  -187.56750  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -169.39566  -187.56750  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -169.43338  -187.56750  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -169.23661  -187.56750  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -148.41289  -187.56750  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -148.45061  -187.56750  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -148.25384  -187.56750  145
  Found two species comparison        st          wu       1.00000     0.50000  -182.46583  -187.56750  146
  Found two species comparison        st          wuls     1.00000     0.50000  -154.57238  -187.56750  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -181.01241  -187.56750  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -181.04070  -187.56750  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -180.89312  -187.56750  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -180.36684  -187.56750  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -180.39513  -187.56750  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -180.24755  -187.56750  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -174.59343  -187.56750  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -174.63115  -187.56750  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -174.43438  -187.56750  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -164.29430  -187.56750  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -164.33202  -187.56750  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -164.13525  -187.56750  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -166.02217  -187.56750  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -166.05989  -187.56750  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -165.86312  -187.56750  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -145.03940  -187.56750  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -145.07712  -187.56750  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -144.88035  -187.56750  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -179.09234  -187.56750  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -151.19889  -187.56750  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -177.63892  -187.56750  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -177.66721  -187.56750  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -177.51963  -187.56750  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -176.99335  -187.56750  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -177.02164  -187.56750  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -176.87406  -187.56750  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -175.02247  -187.56750  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -175.04133  -187.56750  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -174.94294  -187.56750  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -169.87290  -187.56750  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -169.89177  -187.56750  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -169.79338  -187.56750  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -168.82566  -187.56750  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -168.84453  -187.56750  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -168.74614  -187.56750  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -158.33428  -187.56750  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -158.35314  -187.56750  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -158.25476  -187.56750  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -175.36075  -187.56750  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -161.41403  -187.56750  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -174.63404  -187.56750  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -174.64819  -187.56750  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -174.57440  -187.56750  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -174.31126  -187.56750  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -174.32540  -187.56750  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -174.25161  -187.56750  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -156.65412  -187.56750  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -156.67298  -187.56750  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -156.57459  -187.56750  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -169.96710  -187.56750  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -169.98596  -187.56750  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -169.88758  -187.56750  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -151.50455  -187.56750  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -151.52341  -187.56750  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -151.42503  -187.56750  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -164.81754  -187.56750  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -164.83640  -187.56750  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -164.73801  -187.56750  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -150.45731  -187.56750  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -150.47617  -187.56750  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -150.37779  -187.56750  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -139.96593  -187.56750  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -139.98479  -187.56750  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -139.88640  -187.56750  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -156.99240  -187.56750  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -143.04567  -187.56750  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -156.26569  -187.56750  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -156.27984  -187.56750  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -156.20605  -187.56750  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -155.94290  -187.56750  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -155.95705  -187.56750  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -155.88326  -187.56750  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -166.34264  -187.56750  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -166.36151  -187.56750  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -166.26312  -187.56750  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -157.10126  -187.56750  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -157.12012  -187.56750  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -157.02174  -187.56750  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -172.21656  -187.56750  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -158.26983  -187.56750  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -171.48985  -187.56750  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -171.50399  -187.56750  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -171.43020  -187.56750  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -171.16706  -187.56750  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -171.18121  -187.56750  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -171.10742  -187.56750  233
 120 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -187.68581         6.11000      1073.00000
  Found one species comparison        fa       1.00000  -186.85128  -187.68581    1
  Found one species comparison        fewa     1.00000  -187.21313  -187.68581    2
  Found one species comparison        feri     1.00000  -187.68581  -187.68581    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -184.07430  -187.68581    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -184.09308  -187.68581    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -183.99459  -187.68581    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -183.98882  -187.68581    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -184.00761  -187.68581    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -183.90912  -187.68581    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -178.83626  -187.68581   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -178.85505  -187.68581   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -178.75656  -187.68581   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -179.70044  -187.68581   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -179.71923  -187.68581   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -179.62073  -187.68581   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -169.20773  -187.68581   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -169.22652  -187.68581   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -169.12803  -187.68581   18
  Found two species comparison        fs          wu       0.50000     0.25000  -186.23716  -187.68581   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -172.28661  -187.68581   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -185.51225  -187.68581   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -185.52634  -187.68581   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -185.45247  -187.68581   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -185.18762  -187.68581   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -185.20171  -187.68581   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -185.12784  -187.68581   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -184.17357  -187.68581   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -184.19236  -187.68581   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -184.09386  -187.68581   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -184.08810  -187.68581   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -184.10689  -187.68581   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -184.00839  -187.68581   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -178.93554  -187.68581   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -178.95433  -187.68581   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -178.85583  -187.68581   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -179.79972  -187.68581   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -179.81850  -187.68581   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -179.72001  -187.68581   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -169.30701  -187.68581   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -169.32580  -187.68581   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -169.22730  -187.68581   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -186.33644  -187.68581   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -172.38588  -187.68581   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -185.61153  -187.68581   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -185.62562  -187.68581   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -185.55175  -187.68581   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -185.28689  -187.68581   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -185.30098  -187.68581   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -185.22711  -187.68581   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -179.75227  -187.68581   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -179.77105  -187.68581   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -179.67256  -187.68581   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -177.75562  -187.68581   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -177.77441  -187.68581   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -177.67591  -187.68581   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -172.60306  -187.68581   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -172.62185  -187.68581   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -172.52335  -187.68581   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -173.46723  -187.68581   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -173.48602  -187.68581   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -173.38753  -187.68581   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -162.97453  -187.68581   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -162.99332  -187.68581   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -162.89482  -187.68581   64
  Found two species comparison        feil        wu       1.00000     0.25000  -180.00396  -187.68581   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -166.05340  -187.68581   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -179.27905  -187.68581   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -179.29314  -187.68581   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -179.21927  -187.68581   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -178.95441  -187.68581   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -178.96850  -187.68581   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -178.89463  -187.68581   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -179.22260  -187.68581   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -179.26017  -187.68581   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -179.06319  -187.68581   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -179.91039  -187.68581   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -179.94797  -187.68581   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -179.75098  -187.68581   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -178.24936  -187.68581   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -178.28693  -187.68581   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -178.08994  -187.68581   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -174.87489  -187.68581   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -174.91247  -187.68581   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -174.71548  -187.68581   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -173.30469  -187.68581   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -173.32348  -187.68581   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -173.22498  -187.68581   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -154.93538  -187.68581   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -154.95416  -187.68581   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -154.85567  -187.68581   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -170.15882  -187.68581   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -170.17761  -187.68581   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -170.07912  -187.68581   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -179.05165  -187.68581   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -179.08923  -187.68581   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -178.89224  -187.68581   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -168.74653  -187.68581   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -168.78411  -187.68581   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -168.58712  -187.68581   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -170.47489  -187.68581  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -170.51246  -187.68581  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -170.31547  -187.68581  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -149.48947  -187.68581  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -149.52705  -187.68581  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -149.33006  -187.68581  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -183.54833  -187.68581  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -155.64722  -187.68581  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -182.09851  -187.68581  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -182.12669  -187.68581  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -181.97895  -187.68581  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -181.44924  -187.68581  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -181.47742  -187.68581  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -181.32968  -187.68581  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -179.73945  -187.68581  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -179.77702  -187.68581  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -179.58003  -187.68581  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -169.43433  -187.68581  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -169.47190  -187.68581  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -169.27491  -187.68581  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -171.16268  -187.68581  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -171.20025  -187.68581  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -171.00326  -187.68581  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -150.17727  -187.68581  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -150.21484  -187.68581  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -150.01785  -187.68581  125
  Found two species comparison        coes        wu       1.00000     0.50000  -184.23612  -187.68581  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -156.33501  -187.68581  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -182.78630  -187.68581  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -182.81448  -187.68581  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -182.66674  -187.68581  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -182.13703  -187.68581  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -182.16521  -187.68581  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -182.01747  -187.68581  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -178.07841  -187.68581  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -178.11599  -187.68581  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -177.91900  -187.68581  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -167.77329  -187.68581  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -167.81087  -187.68581  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -167.61388  -187.68581  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -169.50164  -187.68581  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -169.53922  -187.68581  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -169.34223  -187.68581  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -148.51623  -187.68581  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -148.55381  -187.68581  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -148.35682  -187.68581  145
  Found two species comparison        st          wu       1.00000     0.50000  -182.57509  -187.68581  146
  Found two species comparison        st          wuls     1.00000     0.50000  -154.67397  -187.68581  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -181.12527  -187.68581  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -181.15345  -187.68581  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -181.00571  -187.68581  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -180.47600  -187.68581  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -180.50418  -187.68581  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -180.35644  -187.68581  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -174.70395  -187.68581  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -174.74152  -187.68581  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -174.54453  -187.68581  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -164.39883  -187.68581  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -164.43640  -187.68581  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -164.23941  -187.68581  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -166.12718  -187.68581  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -166.16476  -187.68581  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -165.96777  -187.68581  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -145.14177  -187.68581  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -145.17934  -187.68581  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -144.98235  -187.68581  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -179.20062  -187.68581  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -151.29951  -187.68581  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -177.75080  -187.68581  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -177.77899  -187.68581  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -177.63124  -187.68581  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -177.10153  -187.68581  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -177.12971  -187.68581  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -176.98197  -187.68581  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -175.13039  -187.68581  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -175.14918  -187.68581  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -175.05069  -187.68581  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -169.97783  -187.68581  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -169.99662  -187.68581  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -169.89813  -187.68581  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -168.93084  -187.68581  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -168.94962  -187.68581  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -168.85113  -187.68581  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -158.43813  -187.68581  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -158.45692  -187.68581  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -158.35842  -187.68581  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -175.46756  -187.68581  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -161.51700  -187.68581  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -174.74265  -187.68581  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -174.75674  -187.68581  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -174.68287  -187.68581  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -174.41801  -187.68581  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -174.43210  -187.68581  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -174.35823  -187.68581  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -156.76108  -187.68581  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -156.77986  -187.68581  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -156.68137  -187.68581  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -170.07335  -187.68581  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -170.09214  -187.68581  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -169.99364  -187.68581  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -151.60852  -187.68581  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -151.62730  -187.68581  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -151.52881  -187.68581  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -164.92079  -187.68581  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -164.93958  -187.68581  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -164.84108  -187.68581  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -150.56152  -187.68581  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -150.58031  -187.68581  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -150.48181  -187.68581  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -140.06881  -187.68581  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -140.08760  -187.68581  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -139.98911  -187.68581  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -157.09824  -187.68581  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -143.14768  -187.68581  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -156.37333  -187.68581  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -156.38742  -187.68581  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -156.31355  -187.68581  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -156.04870  -187.68581  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -156.06279  -187.68581  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -155.98891  -187.68581  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -166.44614  -187.68581  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -166.46493  -187.68581  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -166.36643  -187.68581  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -157.20344  -187.68581  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -157.22222  -187.68581  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -157.12373  -187.68581  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -172.32169  -187.68581  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -158.37113  -187.68581  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -171.59678  -187.68581  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -171.61087  -187.68581  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -171.53700  -187.68581  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -171.27214  -187.68581  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -171.28623  -187.68581  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -171.21236  -187.68581  233
 121 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -186.68048         6.28000      1073.00000
  Found one species comparison        fa       1.00000  -185.75281  -186.68048    1
  Found one species comparison        fewa     1.00000  -186.18970  -186.68048    2
  Found one species comparison        feri     1.00000  -186.68048  -186.68048    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -183.00306  -186.68048    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -183.02248  -186.68048    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -182.92490  -186.68048    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -182.91408  -186.68048    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -182.93350  -186.68048    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -182.83592  -186.68048    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -177.78694  -186.68048   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -177.80636  -186.68048   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -177.70879  -186.68048   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -178.64907  -186.68048   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -178.66849  -186.68048   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -178.57091  -186.68048   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -168.16761  -186.68048   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -168.18703  -186.68048   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -168.08945  -186.68048   18
  Found two species comparison        fs          wu       0.50000     0.25000  -185.17190  -186.68048   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -171.25389  -186.68048   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -184.43169  -186.68048   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -184.44625  -186.68048   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -184.37307  -186.68048   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -184.12278  -186.68048   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -184.13735  -186.68048   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -184.06416  -186.68048   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -183.11614  -186.68048   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -183.13557  -186.68048   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -183.03799  -186.68048   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -183.02717  -186.68048   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -183.04659  -186.68048   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -182.94901  -186.68048   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -177.90003  -186.68048   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -177.91945  -186.68048   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -177.82187  -186.68048   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -178.76215  -186.68048   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -178.78158  -186.68048   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -178.68400  -186.68048   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -168.28069  -186.68048   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -168.30012  -186.68048   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -168.20254  -186.68048   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -185.28499  -186.68048   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -171.36698  -186.68048   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -184.54477  -186.68048   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -184.55934  -186.68048   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -184.48616  -186.68048   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -184.23587  -186.68048   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -184.25044  -186.68048   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -184.17725  -186.68048   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -178.80670  -186.68048   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -178.82612  -186.68048   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -178.72855  -186.68048   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -176.80655  -186.68048   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -176.82597  -186.68048   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -176.72839  -186.68048   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -171.67941  -186.68048   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -171.69884  -186.68048   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -171.60126  -186.68048   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -172.54154  -186.68048   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -172.56096  -186.68048   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -172.46338  -186.68048   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -162.06008  -186.68048   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -162.07950  -186.68048   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -161.98192  -186.68048   64
  Found two species comparison        feil        wu       1.00000     0.25000  -179.06437  -186.68048   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -165.14636  -186.68048   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -178.32416  -186.68048   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -178.33872  -186.68048   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -178.26554  -186.68048   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -178.01525  -186.68048   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -178.02982  -186.68048   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -177.95664  -186.68048   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -178.11633  -186.68048   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -178.15517  -186.68048   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -177.96002  -186.68048   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -178.83207  -186.68048   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -178.87091  -186.68048   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -178.67576  -186.68048   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -177.30905  -186.68048   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -177.34790  -186.68048   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -177.15274  -186.68048   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -173.94285  -186.68048   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -173.98170  -186.68048   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -173.78654  -186.68048   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -172.39115  -186.68048   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -172.41057  -186.68048   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -172.31300  -186.68048   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -154.03003  -186.68048   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -154.04945  -186.68048   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -153.95188  -186.68048   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -169.25951  -186.68048   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -169.27894  -186.68048   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -169.18136  -186.68048   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -177.93837  -186.68048   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -177.97722  -186.68048   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -177.78206  -186.68048   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -167.68410  -186.68048   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -167.72295  -186.68048   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -167.52779  -186.68048   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -169.40835  -186.68048  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -169.44720  -186.68048  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -169.25204  -186.68048  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -148.44543  -186.68048  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -148.48428  -186.68048  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -148.28912  -186.68048  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -182.45402  -186.68048  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -154.61801  -186.68048  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -180.97359  -186.68048  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -181.00272  -186.68048  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -180.85636  -186.68048  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -180.35578  -186.68048  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -180.38491  -186.68048  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -180.23855  -186.68048  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -178.65411  -186.68048  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -178.69296  -186.68048  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -178.49780  -186.68048  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -168.39984  -186.68048  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -168.43868  -186.68048  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -168.24353  -186.68048  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -170.12409  -186.68048  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -170.16294  -186.68048  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -169.96778  -186.68048  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -149.16117  -186.68048  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -149.20001  -186.68048  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -149.00486  -186.68048  125
  Found two species comparison        coes        wu       1.00000     0.50000  -183.16976  -186.68048  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -155.33374  -186.68048  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -181.68933  -186.68048  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -181.71846  -186.68048  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -181.57209  -186.68048  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -181.07152  -186.68048  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -181.10065  -186.68048  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -180.95428  -186.68048  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -177.13110  -186.68048  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -177.16994  -186.68048  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -176.97479  -186.68048  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -166.87682  -186.68048  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -166.91567  -186.68048  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -166.72051  -186.68048  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -168.60107  -186.68048  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -168.63992  -186.68048  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -168.44476  -186.68048  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -147.63815  -186.68048  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -147.67700  -186.68048  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -147.48184  -186.68048  145
  Found two species comparison        st          wu       1.00000     0.50000  -181.64674  -186.68048  146
  Found two species comparison        st          wuls     1.00000     0.50000  -153.81073  -186.68048  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -180.16631  -186.68048  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -180.19545  -186.68048  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -180.04908  -186.68048  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -179.54850  -186.68048  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -179.57764  -186.68048  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -179.43127  -186.68048  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -173.76490  -186.68048  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -173.80375  -186.68048  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -173.60859  -186.68048  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -163.51063  -186.68048  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -163.54947  -186.68048  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -163.35432  -186.68048  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -165.23488  -186.68048  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -165.27372  -186.68048  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -165.07857  -186.68048  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -144.27196  -186.68048  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -144.31080  -186.68048  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -144.11565  -186.68048  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -178.28055  -186.68048  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -150.44453  -186.68048  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -176.80011  -186.68048  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -176.82925  -186.68048  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -176.68288  -186.68048  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -176.18230  -186.68048  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -176.21144  -186.68048  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -176.06507  -186.68048  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -174.21335  -186.68048  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -174.23277  -186.68048  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -174.13519  -186.68048  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -169.08621  -186.68048  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -169.10563  -186.68048  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -169.00806  -186.68048  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -168.03716  -186.68048  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -168.05659  -186.68048  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -167.95901  -186.68048  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -157.55570  -186.68048  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -157.57513  -186.68048  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -157.47755  -186.68048  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -174.56000  -186.68048  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -160.64199  -186.68048  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -173.81978  -186.68048  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -173.83435  -186.68048  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -173.76117  -186.68048  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -173.51088  -186.68048  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -173.52544  -186.68048  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -173.45226  -186.68048  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -155.85223  -186.68048  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -155.87165  -186.68048  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -155.77407  -186.68048  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -169.17054  -186.68048  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -169.18996  -186.68048  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -169.09238  -186.68048  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -150.72509  -186.68048  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -150.74451  -186.68048  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -150.64694  -186.68048  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -164.04340  -186.68048  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -164.06282  -186.68048  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -163.96524  -186.68048  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -149.67604  -186.68048  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -149.69547  -186.68048  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -149.59789  -186.68048  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -139.19458  -186.68048  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -139.21401  -186.68048  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -139.11643  -186.68048  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -156.19888  -186.68048  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -142.28087  -186.68048  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -155.45866  -186.68048  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -155.47323  -186.68048  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -155.40005  -186.68048  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -155.14976  -186.68048  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -155.16432  -186.68048  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -155.09114  -186.68048  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -165.56670  -186.68048  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -165.58612  -186.68048  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -165.48854  -186.68048  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -156.33524  -186.68048  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -156.35466  -186.68048  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -156.25708  -186.68048  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -171.42836  -186.68048  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -157.51035  -186.68048  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -170.68814  -186.68048  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -170.70271  -186.68048  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -170.62953  -186.68048  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -170.37924  -186.68048  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -170.39381  -186.68048  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -170.32062  -186.68048  233
 122 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -195.96614         5.56000      1173.00000
  Found one species comparison        fa       1.00000  -195.58074  -195.96614    1
  Found one species comparison        fewa     1.00000  -195.60249  -195.96614    2
  Found one species comparison        feri     1.00000  -195.96614  -195.96614    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -192.57624  -195.96614    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -192.59618  -195.96614    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -192.48086  -195.96614    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -192.53723  -195.96614    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -192.55718  -195.96614    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -192.44186  -195.96614    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -187.16423  -195.96614   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -187.18417  -195.96614   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -187.06885  -195.96614   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -188.11429  -195.96614   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -188.13424  -195.96614   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -188.01892  -195.96614   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -177.51640  -195.96614   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -177.53634  -195.96614   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -177.42102  -195.96614   18
  Found two species comparison        fs          wu       0.50000     0.25000  -194.90806  -195.96614   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -180.56266  -195.96614   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -194.15504  -195.96614   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -194.17000  -195.96614   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -194.08351  -195.96614   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -193.76851  -195.96614   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -193.78347  -195.96614   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -193.69698  -195.96614   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -192.59315  -195.96614   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -192.61310  -195.96614   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -192.49778  -195.96614   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -192.55415  -195.96614   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -192.57409  -195.96614   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -192.45877  -195.96614   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -187.18114  -195.96614   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -187.20109  -195.96614   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -187.08577  -195.96614   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -188.13121  -195.96614   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -188.15115  -195.96614   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -188.03583  -195.96614   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -177.53331  -195.96614   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -177.55326  -195.96614   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -177.43794  -195.96614   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -194.92498  -195.96614   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -180.57958  -195.96614   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -194.17195  -195.96614   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -194.18691  -195.96614   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -194.10042  -195.96614   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -193.78543  -195.96614   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -193.80038  -195.96614   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -193.71389  -195.96614   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -187.81092  -195.96614   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -187.83087  -195.96614   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -187.71555  -195.96614   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -185.68263  -195.96614   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -185.70257  -195.96614   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -185.58725  -195.96614   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -180.30962  -195.96614   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -180.32957  -195.96614   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -180.21425  -195.96614   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -181.25969  -195.96614   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -181.27963  -195.96614   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -181.16431  -195.96614   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -170.66179  -195.96614   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -170.68174  -195.96614   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -170.56642  -195.96614   64
  Found two species comparison        feil        wu       1.00000     0.25000  -188.05346  -195.96614   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -173.70806  -195.96614   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -187.30043  -195.96614   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -187.31539  -195.96614   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -187.22890  -195.96614   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -186.91390  -195.96614   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -186.92886  -195.96614   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -186.84237  -195.96614   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -187.69598  -195.96614   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -187.73587  -195.96614   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -187.50523  -195.96614   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -188.28784  -195.96614   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -188.32773  -195.96614   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -188.09709  -195.96614   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -185.96918  -195.96614   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -186.00907  -195.96614   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -185.77843  -195.96614   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -182.53448  -195.96614   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -182.57437  -195.96614   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -182.34373  -195.96614   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -181.17581  -195.96614   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -181.19576  -195.96614   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -181.08044  -195.96614   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -162.72173  -195.96614   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -162.74168  -195.96614   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -162.62636  -195.96614   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -177.88708  -195.96614   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -177.90703  -195.96614   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -177.79170  -195.96614   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -187.61797  -195.96614   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -187.65786  -195.96614   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -187.42722  -195.96614   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -176.87196  -195.96614   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -176.91185  -195.96614   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -176.68121  -195.96614   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -178.77209  -195.96614  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -178.81198  -195.96614  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -178.58134  -195.96614  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -157.57630  -195.96614  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -157.61619  -195.96614  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -157.38555  -195.96614  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -192.35963  -195.96614  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -163.66883  -195.96614  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -190.85358  -195.96614  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -190.88350  -195.96614  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -190.71052  -195.96614  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -190.08052  -195.96614  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -190.11044  -195.96614  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -189.93746  -195.96614  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -188.20983  -195.96614  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -188.24972  -195.96614  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -188.01908  -195.96614  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -177.46382  -195.96614  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -177.50371  -195.96614  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -177.27307  -195.96614  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -179.36395  -195.96614  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -179.40384  -195.96614  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -179.17320  -195.96614  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -158.16816  -195.96614  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -158.20805  -195.96614  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -157.97741  -195.96614  125
  Found two species comparison        coes        wu       1.00000     0.50000  -192.95149  -195.96614  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -164.26068  -195.96614  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -191.44544  -195.96614  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -191.47536  -195.96614  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -191.30238  -195.96614  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -190.67238  -195.96614  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -190.70230  -195.96614  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -190.52932  -195.96614  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -185.89117  -195.96614  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -185.93106  -195.96614  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -185.70042  -195.96614  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -175.14517  -195.96614  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -175.18506  -195.96614  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -174.95442  -195.96614  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -177.04529  -195.96614  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -177.08519  -195.96614  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -176.85454  -195.96614  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -155.84950  -195.96614  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -155.88939  -195.96614  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -155.65875  -195.96614  145
  Found two species comparison        st          wu       1.00000     0.50000  -190.63284  -195.96614  146
  Found two species comparison        st          wuls     1.00000     0.50000  -161.94203  -195.96614  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -189.12678  -195.96614  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -189.15670  -195.96614  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -188.98372  -195.96614  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -188.35373  -195.96614  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -188.38364  -195.96614  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -188.21066  -195.96614  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -182.45647  -195.96614  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -182.49636  -195.96614  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -182.26572  -195.96614  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -171.71046  -195.96614  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -171.75035  -195.96614  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -171.51971  -195.96614  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -173.61059  -195.96614  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -173.65048  -195.96614  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -173.41984  -195.96614  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -152.41480  -195.96614  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -152.45469  -195.96614  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -152.22405  -195.96614  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -187.19813  -195.96614  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -158.50732  -195.96614  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -185.69208  -195.96614  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -185.72200  -195.96614  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -185.54902  -195.96614  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -184.91902  -195.96614  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -184.94894  -195.96614  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -184.77596  -195.96614  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -183.22610  -195.96614  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -183.24604  -195.96614  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -183.13072  -195.96614  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -177.85309  -195.96614  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -177.87304  -195.96614  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -177.75772  -195.96614  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -176.71387  -195.96614  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -176.73381  -195.96614  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -176.61849  -195.96614  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -166.11597  -195.96614  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -166.13592  -195.96614  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -166.02060  -195.96614  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -183.50764  -195.96614  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -169.16223  -195.96614  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -182.75461  -195.96614  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -182.76957  -195.96614  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -182.68308  -195.96614  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -182.36808  -195.96614  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -182.38304  -195.96614  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -182.29655  -195.96614  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -164.77202  -195.96614  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -164.79196  -195.96614  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -164.67664  -195.96614  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -177.84808  -195.96614  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -177.86802  -195.96614  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -177.75270  -195.96614  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -159.39901  -195.96614  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -159.41896  -195.96614  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -159.30364  -195.96614  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -172.47507  -195.96614  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -172.49502  -195.96614  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -172.37970  -195.96614  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -158.25979  -195.96614  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -158.27973  -195.96614  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -158.16441  -195.96614  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -147.66189  -195.96614  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -147.68184  -195.96614  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -147.56652  -195.96614  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -165.05356  -195.96614  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -150.70815  -195.96614  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -164.30053  -195.96614  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -164.31549  -195.96614  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -164.22900  -195.96614  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -163.91400  -195.96614  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -163.92896  -195.96614  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -163.84247  -195.96614  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -174.26443  -195.96614  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -174.28437  -195.96614  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -174.16905  -195.96614  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -164.91653  -195.96614  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -164.93648  -195.96614  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -164.82116  -195.96614  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -180.21891  -195.96614  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -165.87350  -195.96614  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -179.46588  -195.96614  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -179.48084  -195.96614  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -179.39435  -195.96614  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -179.07935  -195.96614  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -179.09431  -195.96614  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -179.00782  -195.96614  233
 123 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -158.08956        14.80000      1473.00000
  Found one species comparison        fa       1.00000  -153.52443  -158.08956    1
  Found one species comparison        fewa     1.00000  -157.05379  -158.08956    2
  Found one species comparison        feri     1.00000  -158.08956  -158.08956    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -151.65402  -158.08956    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -151.69989  -158.08956    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -151.57776  -158.08956    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -151.57766  -158.08956    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -151.62354  -158.08956    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -151.50141  -158.08956    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -147.10273  -158.08956   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -147.14860  -158.08956   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -147.02647  -158.08956   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -148.17907  -158.08956   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -148.22494  -158.08956   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -148.10281  -158.08956   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -137.97407  -158.08956   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -138.01995  -158.08956   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -137.89782  -158.08956   18
  Found two species comparison        fs          wu       0.50000     0.25000  -154.89112  -158.08956   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -141.38655  -158.08956   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -153.10457  -158.08956   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -153.13898  -158.08956   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -153.04738  -158.08956   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -153.51245  -158.08956   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -153.54686  -158.08956   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -153.45526  -158.08956   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -152.06638  -158.08956   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -152.11225  -158.08956   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -151.99012  -158.08956   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -151.99003  -158.08956   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -152.03590  -158.08956   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -151.91377  -158.08956   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -147.51509  -158.08956   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -147.56096  -158.08956   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -147.43883  -158.08956   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -148.59143  -158.08956   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -148.63730  -158.08956   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -148.51517  -158.08956   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -138.38643  -158.08956   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -138.43231  -158.08956   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -138.31018  -158.08956   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -155.30348  -158.08956   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -141.79891  -158.08956   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -153.51693  -158.08956   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -153.55134  -158.08956   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -153.45974  -158.08956   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -153.92481  -158.08956   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -153.95922  -158.08956   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -153.86762  -158.08956   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -153.05431  -158.08956   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -153.10019  -158.08956   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -152.97806  -158.08956   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -150.35432  -158.08956   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -150.40020  -158.08956   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -150.27807  -158.08956   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -145.87939  -158.08956   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -145.92526  -158.08956   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -145.80313  -158.08956   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -146.95573  -158.08956   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -147.00160  -158.08956   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -146.87947  -158.08956   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -136.75073  -158.08956   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -136.79660  -158.08956   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -136.67448  -158.08956   64
  Found two species comparison        feil        wu       1.00000     0.25000  -153.66778  -158.08956   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -140.16321  -158.08956   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -151.88123  -158.08956   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -151.91564  -158.08956   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -151.82404  -158.08956   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -152.28911  -158.08956   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -152.32352  -158.08956   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -152.23192  -158.08956   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -144.74667  -158.08956   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -144.83842  -158.08956   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -144.59416  -158.08956   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -146.54391  -158.08956   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -146.63566  -158.08956   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -146.39140  -158.08956   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -150.44674  -158.08956   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -150.53848  -158.08956   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -150.29423  -158.08956   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -147.35075  -158.08956   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -147.44250  -158.08956   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -147.19824  -158.08956   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -147.76247  -158.08956   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -147.80834  -158.08956   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -147.68621  -158.08956   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -129.57519  -158.08956   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -129.62106  -158.08956   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -129.49893  -158.08956   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -144.90549  -158.08956   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -144.95137  -158.08956   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -144.82924  -158.08956   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -144.59397  -158.08956   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -144.68571  -158.08956   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -144.44145  -158.08956   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -135.64409  -158.08956   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -135.73583  -158.08956   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -135.49158  -158.08956   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -137.79677  -158.08956  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -137.88852  -158.08956  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -137.64426  -158.08956  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -117.38678  -158.08956  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -117.47853  -158.08956  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -117.23427  -158.08956  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -151.22088  -158.08956  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -124.21173  -158.08956  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -147.64778  -158.08956  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -147.71659  -158.08956  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -147.53339  -158.08956  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -148.46354  -158.08956  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -148.53235  -158.08956  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -148.34916  -158.08956  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -146.39120  -158.08956  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -146.48295  -158.08956  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -146.23869  -158.08956  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -137.44132  -158.08956  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -137.53307  -158.08956  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -137.28881  -158.08956  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -139.59401  -158.08956  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -139.68575  -158.08956  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -139.44149  -158.08956  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -119.18402  -158.08956  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -119.27576  -158.08956  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -119.03150  -158.08956  125
  Found two species comparison        coes        wu       1.00000     0.50000  -153.01812  -158.08956  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -126.00896  -158.08956  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -149.44501  -158.08956  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -149.51382  -158.08956  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -149.33063  -158.08956  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -150.26078  -158.08956  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -150.32959  -158.08956  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -150.14639  -158.08956  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -150.29403  -158.08956  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -150.38578  -158.08956  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -150.14152  -158.08956  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -141.34415  -158.08956  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -141.43590  -158.08956  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -141.19164  -158.08956  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -143.49683  -158.08956  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -143.58858  -158.08956  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -143.34432  -158.08956  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -123.08684  -158.08956  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -123.17859  -158.08956  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -122.93433  -158.08956  145
  Found two species comparison        st          wu       1.00000     0.50000  -156.92095  -158.08956  146
  Found two species comparison        st          wuls     1.00000     0.50000  -129.91179  -158.08956  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -153.34784  -158.08956  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -153.41665  -158.08956  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -153.23346  -158.08956  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -154.16361  -158.08956  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -154.23242  -158.08956  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -154.04922  -158.08956  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -147.19805  -158.08956  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -147.28979  -158.08956  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -147.04553  -158.08956  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -138.24817  -158.08956  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -138.33991  -158.08956  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -138.09566  -158.08956  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -140.40085  -158.08956  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -140.49260  -158.08956  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -140.24834  -158.08956  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -119.99086  -158.08956  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -120.08261  -158.08956  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -119.83835  -158.08956  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -153.82496  -158.08956  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -126.81581  -158.08956  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -150.25186  -158.08956  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -150.32067  -158.08956  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -150.13747  -158.08956  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -151.06762  -158.08956  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -151.13643  -158.08956  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -150.95324  -158.08956  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -150.30975  -158.08956  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -150.35562  -158.08956  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -150.23349  -158.08956  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -145.83481  -158.08956  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -145.88068  -158.08956  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -145.75855  -158.08956  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -144.28752  -158.08956  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -144.33339  -158.08956  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -144.21126  -158.08956  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -134.08252  -158.08956  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -134.12840  -158.08956  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -134.00627  -158.08956  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -150.99957  -158.08956  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -137.49500  -158.08956  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -149.21302  -158.08956  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -149.24743  -158.08956  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -149.15583  -158.08956  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -149.62090  -158.08956  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -149.65531  -158.08956  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -149.56371  -158.08956  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -132.12247  -158.08956  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -132.16834  -158.08956  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -132.04621  -158.08956  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -144.82914  -158.08956  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -144.87501  -158.08956  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -144.75288  -158.08956  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -127.64753  -158.08956  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -127.69340  -158.08956  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -127.57127  -158.08956  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -140.35420  -158.08956  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -140.40007  -158.08956  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -140.27794  -158.08956  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -126.10024  -158.08956  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -126.14611  -158.08956  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -126.02398  -158.08956  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -115.89524  -158.08956  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -115.94112  -158.08956  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -115.81899  -158.08956  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -132.81229  -158.08956  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -119.30772  -158.08956  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -131.02574  -158.08956  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -131.06015  -158.08956  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -130.96855  -158.08956  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -131.43362  -158.08956  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -131.46803  -158.08956  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -131.37643  -158.08956  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -142.80417  -158.08956  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -142.85005  -158.08956  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -142.72792  -158.08956  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -133.84918  -158.08956  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -133.89505  -158.08956  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -133.77292  -158.08956  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -148.14260  -158.08956  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -134.63802  -158.08956  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -146.35604  -158.08956  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -146.39045  -158.08956  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -146.29885  -158.08956  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -146.76393  -158.08956  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -146.79833  -158.08956  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -146.70673  -158.08956  233
 124 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -150.06628        16.20000      1473.00000
  Found one species comparison        fa       1.00000  -144.89821  -150.06628    1
  Found one species comparison        fewa     1.00000  -148.95016  -150.06628    2
  Found one species comparison        feri     1.00000  -150.06628  -150.06628    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -143.24342  -150.06628    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -143.29392  -150.06628    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -143.17764  -150.06628    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -143.16424  -150.06628    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -143.21474  -150.06628    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -143.09846  -150.06628    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -138.86389  -150.06628   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -138.91439  -150.06628   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -138.79811  -150.06628   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -139.93191  -150.06628   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -139.98241  -150.06628   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -139.86613  -150.06628   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -129.81550  -150.06628   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -129.86599  -150.06628   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -129.74972  -150.06628   18
  Found two species comparison        fs          wu       0.50000     0.25000  -146.54513  -150.06628   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -133.28179  -150.06628   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -144.62563  -150.06628   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -144.66350  -150.06628   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -144.57629  -150.06628   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -145.16066  -150.06628   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -145.19853  -150.06628   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -145.11133  -150.06628   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -143.72612  -150.06628   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -143.77661  -150.06628   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -143.66034  -150.06628   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -143.64693  -150.06628   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -143.69743  -150.06628   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -143.58116  -150.06628   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -139.34659  -150.06628   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -139.39708  -150.06628   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -139.28081  -150.06628   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -140.41461  -150.06628   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -140.46510  -150.06628   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -140.34883  -150.06628   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -130.29819  -150.06628   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -130.34869  -150.06628   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -130.23241  -150.06628   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -147.02782  -150.06628   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -133.76448  -150.06628   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -145.10832  -150.06628   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -145.14619  -150.06628   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -145.05898  -150.06628   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -145.64335  -150.06628   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -145.68123  -150.06628   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -145.59402  -150.06628   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -145.50524  -150.06628   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -145.55574  -150.06628   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -145.43946  -150.06628   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -142.80243  -150.06628   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -142.85292  -150.06628   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -142.73665  -150.06628   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -138.50208  -150.06628   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -138.55257  -150.06628   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -138.43630  -150.06628   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -139.57010  -150.06628   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -139.62059  -150.06628   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -139.50432  -150.06628   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -129.45368  -150.06628   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -129.50418  -150.06628   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -129.38790  -150.06628   64
  Found two species comparison        feil        wu       1.00000     0.25000  -146.18331  -150.06628   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -132.91997  -150.06628   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -144.26381  -150.06628   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -144.30168  -150.06628   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -144.21448  -150.06628   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -144.79885  -150.06628   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -144.83672  -150.06628   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -144.74951  -150.06628   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -136.17398  -150.06628   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -136.27497  -150.06628   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -136.04243  -150.06628   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -138.07898  -150.06628   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -138.17997  -150.06628   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -137.94742  -150.06628   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -142.91317  -150.06628   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -143.01416  -150.06628   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -142.78161  -150.06628   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -139.88006  -150.06628   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -139.98105  -150.06628   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -139.74850  -150.06628   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -140.42717  -150.06628   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -140.47767  -150.06628   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -140.36140  -150.06628   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -122.30525  -150.06628   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -122.35575  -150.06628   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -122.23947  -150.06628   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -137.67432  -150.06628   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -137.72482  -150.06628   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -137.60854  -150.06628   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -136.01562  -150.06628   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -136.11661  -150.06628   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -135.88406  -150.06628   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -127.41492  -150.06628   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -127.51591  -150.06628   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -127.28336  -150.06628   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -129.55096  -150.06628  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -129.65196  -150.06628  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -129.41941  -150.06628  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -109.31813  -150.06628  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -109.41912  -150.06628  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -109.18657  -150.06628  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -142.77739  -150.06628  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -116.25071  -150.06628  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -138.93839  -150.06628  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -139.01413  -150.06628  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -138.83972  -150.06628  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -140.00846  -150.06628  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -140.08420  -150.06628  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -139.90979  -150.06628  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -137.92061  -150.06628  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -138.02161  -150.06628  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -137.78906  -150.06628  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -129.31992  -150.06628  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -129.42091  -150.06628  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -129.18836  -150.06628  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -131.45596  -150.06628  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -131.55695  -150.06628  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -131.32440  -150.06628  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -111.22312  -150.06628  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -111.32412  -150.06628  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -111.09157  -150.06628  125
  Found two species comparison        coes        wu       1.00000     0.50000  -144.68238  -150.06628  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -118.15570  -150.06628  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -140.84338  -150.06628  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -140.91913  -150.06628  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -140.74471  -150.06628  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -141.91345  -150.06628  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -141.98920  -150.06628  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -141.81479  -150.06628  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -142.75481  -150.06628  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -142.85580  -150.06628  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -142.62325  -150.06628  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -134.15411  -150.06628  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -134.25510  -150.06628  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -134.02255  -150.06628  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -136.29015  -150.06628  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -136.39114  -150.06628  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -136.15859  -150.06628  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -116.05732  -150.06628  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -116.15831  -150.06628  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -115.92576  -150.06628  145
  Found two species comparison        st          wu       1.00000     0.50000  -149.51658  -150.06628  146
  Found two species comparison        st          wuls     1.00000     0.50000  -122.98990  -150.06628  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -145.67758  -150.06628  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -145.75332  -150.06628  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -145.57891  -150.06628  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -146.74765  -150.06628  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -146.82339  -150.06628  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -146.64898  -150.06628  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -139.72170  -150.06628  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -139.82269  -150.06628  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -139.59014  -150.06628  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -131.12100  -150.06628  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -131.22199  -150.06628  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -130.98944  -150.06628  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -133.25704  -150.06628  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -133.35804  -150.06628  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -133.12549  -150.06628  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -113.02421  -150.06628  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -113.12520  -150.06628  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -112.89265  -150.06628  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -146.48347  -150.06628  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -119.95679  -150.06628  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -142.64447  -150.06628  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -142.72021  -150.06628  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -142.54580  -150.06628  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -143.71454  -150.06628  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -143.79028  -150.06628  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -143.61587  -150.06628  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -142.97163  -150.06628  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -143.02212  -150.06628  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -142.90585  -150.06628  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -138.67128  -150.06628  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -138.72177  -150.06628  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -138.60550  -150.06628  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -137.11566  -150.06628  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -137.16616  -150.06628  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -137.04989  -150.06628  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -126.99925  -150.06628  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -127.04974  -150.06628  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -126.93347  -150.06628  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -143.72888  -150.06628  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -130.46554  -150.06628  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -141.80938  -150.06628  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -141.84725  -150.06628  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -141.76004  -150.06628  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -142.34441  -150.06628  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -142.38228  -150.06628  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -142.29508  -150.06628  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -124.84970  -150.06628  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -124.90020  -150.06628  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -124.78392  -150.06628  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -137.59514  -150.06628  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -137.64563  -150.06628  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -137.52936  -150.06628  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -120.54935  -150.06628  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -120.59985  -150.06628  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -120.48357  -150.06628  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -133.29479  -150.06628  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -133.34529  -150.06628  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -133.22901  -150.06628  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -118.99374  -150.06628  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -119.04424  -150.06628  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -118.92796  -150.06628  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -108.87732  -150.06628  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -108.92782  -150.06628  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -108.81154  -150.06628  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -125.60695  -150.06628  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -112.34361  -150.06628  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -123.68745  -150.06628  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -123.72532  -150.06628  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -123.63812  -150.06628  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -124.22249  -150.06628  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -124.26036  -150.06628  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -124.17315  -150.06628  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -135.73644  -150.06628  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -135.78694  -150.06628  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -135.67067  -150.06628  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -126.87003  -150.06628  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -126.92052  -150.06628  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -126.80425  -150.06628  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -140.97602  -150.06628  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -127.71268  -150.06628  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -139.05652  -150.06628  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -139.09439  -150.06628  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -139.00719  -150.06628  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -139.59156  -150.06628  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -139.62943  -150.06628  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -139.54222  -150.06628  233
 125 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -146.07151        16.90000      1473.00000
  Found one species comparison        fa       1.00000  -140.60948  -146.07151    1
  Found one species comparison        fewa     1.00000  -144.91890  -146.07151    2
  Found one species comparison        feri     1.00000  -146.07151  -146.07151    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -139.06038  -146.07151    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -139.11320  -146.07151    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -139.00005  -146.07151    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -138.98139  -146.07151    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -139.03421  -146.07151    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -138.92106  -146.07151    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -134.76627  -146.07151   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -134.81908  -146.07151   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -134.70593  -146.07151   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -135.83094  -146.07151   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -135.88376  -146.07151   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -135.77060  -146.07151   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -125.75863  -146.07151   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -125.81145  -146.07151   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -125.69829  -146.07151   18
  Found two species comparison        fs          wu       0.50000     0.25000  -142.39516  -146.07151   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -129.25094  -146.07151   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -140.40852  -146.07151   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -140.44814  -146.07151   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -140.36327  -146.07151   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -141.00746  -146.07151   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -141.04708  -146.07151   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -140.96221  -146.07151   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -139.57852  -146.07151   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -139.63134  -146.07151   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -139.51818  -146.07151   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -139.49953  -146.07151   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -139.55235  -146.07151   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -139.43919  -146.07151   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -135.28440  -146.07151   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -135.33722  -146.07151   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -135.22407  -146.07151   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -136.34908  -146.07151   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -136.40189  -146.07151   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -136.28874  -146.07151   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -126.27677  -146.07151   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -126.32958  -146.07151   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -126.21643  -146.07151   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -142.91330  -146.07151   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -129.76907  -146.07151   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -140.92666  -146.07151   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -140.96627  -146.07151   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -140.88141  -146.07151   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -141.52560  -146.07151   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -141.56521  -146.07151   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -141.48035  -146.07151   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -141.74677  -146.07151   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -141.79958  -146.07151   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -141.68643  -146.07151   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -139.04414  -146.07151   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -139.09696  -146.07151   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -138.98381  -146.07151   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -134.82902  -146.07151   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -134.88183  -146.07151   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -134.76868  -146.07151   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -135.89369  -146.07151   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -135.94651  -146.07151   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -135.83335  -146.07151   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -125.82138  -146.07151   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -125.87420  -146.07151   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -125.76104  -146.07151   64
  Found two species comparison        feil        wu       1.00000     0.25000  -142.45791  -146.07151   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -129.31369  -146.07151   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -140.47127  -146.07151   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -140.51089  -146.07151   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -140.42602  -146.07151   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -141.07022  -146.07151   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -141.10983  -146.07151   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -141.02496  -146.07151   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -131.91739  -146.07151   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -132.02302  -146.07151   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -131.79672  -146.07151   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -133.87097  -146.07151   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -133.97660  -146.07151   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -133.75030  -146.07151   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -139.16181  -146.07151   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -139.26744  -146.07151   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -139.04114  -146.07151   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -136.15978  -146.07151   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -136.26542  -146.07151   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -136.03911  -146.07151   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -136.77364  -146.07151   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -136.82645  -146.07151   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -136.71330  -146.07151   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -118.68429  -146.07151   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -118.73711  -146.07151   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -118.62395  -146.07151   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -134.07255  -146.07151   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -134.12536  -146.07151   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -134.01221  -146.07151   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -131.75941  -146.07151   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -131.86505  -146.07151   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -131.63874  -146.07151   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -123.32916  -146.07151   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -123.43479  -146.07151   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -123.20849  -146.07151   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -125.45850  -146.07151  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -125.56414  -146.07151  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -125.33783  -146.07151  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -105.31388  -146.07151  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -105.41952  -146.07151  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -105.19321  -146.07151  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -138.58695  -146.07151  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -112.29850  -146.07151  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -134.61367  -146.07151  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -134.69290  -146.07151  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -134.52317  -146.07151  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -135.81156  -146.07151  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -135.89078  -146.07151  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -135.72105  -146.07151  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -133.71299  -146.07151  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -133.81863  -146.07151  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -133.59232  -146.07151  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -125.28274  -146.07151  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -125.38837  -146.07151  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -125.16206  -146.07151  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -127.41208  -146.07151  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -127.51772  -146.07151  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -127.29141  -146.07151  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -107.26746  -146.07151  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -107.37310  -146.07151  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -107.14679  -146.07151  125
  Found two species comparison        coes        wu       1.00000     0.50000  -140.54053  -146.07151  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -114.25207  -146.07151  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -136.56725  -146.07151  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -136.64648  -146.07151  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -136.47675  -146.07151  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -137.76513  -146.07151  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -137.84436  -146.07151  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -137.67463  -146.07151  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -139.00383  -146.07151  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -139.10947  -146.07151  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -138.88316  -146.07151  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -130.57358  -146.07151  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -130.67921  -146.07151  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -130.45290  -146.07151  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -132.70292  -146.07151  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -132.80856  -146.07151  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -132.58225  -146.07151  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -112.55830  -146.07151  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -112.66394  -146.07151  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -112.43763  -146.07151  145
  Found two species comparison        st          wu       1.00000     0.50000  -145.83137  -146.07151  146
  Found two species comparison        st          wuls     1.00000     0.50000  -119.54291  -146.07151  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -141.85809  -146.07151  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -141.93732  -146.07151  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -141.76759  -146.07151  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -143.05597  -146.07151  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -143.13520  -146.07151  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -142.96547  -146.07151  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -136.00181  -146.07151  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -136.10744  -146.07151  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -135.88113  -146.07151  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -127.57155  -146.07151  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -127.67719  -146.07151  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -127.45088  -146.07151  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -129.70090  -146.07151  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -129.80653  -146.07151  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -129.58023  -146.07151  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -109.55628  -146.07151  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -109.66191  -146.07151  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -109.43561  -146.07151  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -142.82935  -146.07151  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -116.54089  -146.07151  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -138.85607  -146.07151  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -138.93529  -146.07151  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -138.76556  -146.07151  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -140.05395  -146.07151  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -140.13318  -146.07151  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -139.96345  -146.07151  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -139.31828  -146.07151  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -139.37110  -146.07151  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -139.25795  -146.07151  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -135.10315  -146.07151  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -135.15597  -146.07151  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -135.04282  -146.07151  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -133.54419  -146.07151  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -133.59701  -146.07151  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -133.48386  -146.07151  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -123.47188  -146.07151  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -123.52470  -146.07151  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -123.41155  -146.07151  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -140.10842  -146.07151  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -126.96419  -146.07151  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -138.12178  -146.07151  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -138.16139  -146.07151  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -138.07653  -146.07151  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -138.72072  -146.07151  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -138.76033  -146.07151  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -138.67547  -146.07151  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -121.22894  -146.07151  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -121.28175  -146.07151  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -121.16860  -146.07151  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -133.99356  -146.07151  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -134.04637  -146.07151  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -133.93322  -146.07151  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -117.01381  -146.07151  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -117.06663  -146.07151  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -116.95347  -146.07151  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -129.77843  -146.07151  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -129.83125  -146.07151  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -129.71809  -146.07151  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -115.45485  -146.07151  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -115.50766  -146.07151  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -115.39451  -146.07151  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -105.38254  -146.07151  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -105.43535  -146.07151  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -105.32220  -146.07151  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -122.01907  -146.07151  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -108.87484  -146.07151  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -120.03243  -146.07151  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -120.07204  -146.07151  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -119.98718  -146.07151  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -120.63137  -146.07151  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -120.67099  -146.07151  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -120.58612  -146.07151  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -132.21674  -146.07151  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -132.26955  -146.07151  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -132.15640  -146.07151  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -123.39443  -146.07151  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -123.44724  -146.07151  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -123.33409  -146.07151  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -137.40733  -146.07151  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -124.26310  -146.07151  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -135.42069  -146.07151  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -135.46030  -146.07151  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -135.37543  -146.07151  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -136.01963  -146.07151  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -136.05924  -146.07151  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -135.97438  -146.07151  233
 126 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -155.82835        17.20000      1673.00000
  Found one species comparison        fa       1.00000  -150.48619  -155.82835    1
  Found one species comparison        fewa     1.00000  -154.71910  -155.82835    2
  Found one species comparison        feri     1.00000  -155.82835  -155.82835    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -148.78623  -155.82835    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -148.83056  -155.82835    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -148.68488  -155.82835    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -148.74857  -155.82835    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -148.79290  -155.82835    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -148.64723  -155.82835    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -144.32572  -155.82835   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -144.37005  -155.82835   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -144.22437  -155.82835   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -145.52623  -155.82835   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -145.57056  -155.82835   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -145.42488  -155.82835   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -135.33558  -155.82835   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -135.37991  -155.82835   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -135.23424  -155.82835   18
  Found two species comparison        fs          wu       0.50000     0.25000  -152.47700  -155.82835   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -138.82344  -155.82835   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -150.35942  -155.82835   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -150.39266  -155.82835   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -150.28341  -155.82835   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -150.94570  -155.82835   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -150.97895  -155.82835   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -150.86969  -155.82835   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -149.14112  -155.82835   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -149.18545  -155.82835   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -149.03977  -155.82835   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -149.10346  -155.82835   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -149.14779  -155.82835   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -149.00212  -155.82835   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -144.68061  -155.82835   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -144.72494  -155.82835   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -144.57926  -155.82835   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -145.88112  -155.82835   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -145.92545  -155.82835   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -145.77977  -155.82835   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -135.69047  -155.82835   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -135.73480  -155.82835   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -135.58913  -155.82835   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -152.83189  -155.82835   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -139.17833  -155.82835   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -150.71431  -155.82835   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -150.74755  -155.82835   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -150.63830  -155.82835   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -151.30059  -155.82835   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -151.33384  -155.82835   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -151.22458  -155.82835   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -151.56113  -155.82835   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -151.60546  -155.82835   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -151.45978  -155.82835   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -148.54361  -155.82835   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -148.58793  -155.82835   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -148.44226  -155.82835   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -144.12075  -155.82835   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -144.16508  -155.82835   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -144.01941  -155.82835   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -145.32126  -155.82835   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -145.36559  -155.82835   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -145.21992  -155.82835   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -135.13062  -155.82835   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -135.17495  -155.82835   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -135.02927  -155.82835   64
  Found two species comparison        feil        wu       1.00000     0.25000  -152.27203  -155.82835   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -138.61848  -155.82835   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -150.15445  -155.82835   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -150.18770  -155.82835   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -150.07844  -155.82835   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -150.74073  -155.82835   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -150.77398  -155.82835   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -150.66473  -155.82835   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -141.25056  -155.82835   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -141.33922  -155.82835   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -141.04787  -155.82835   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -143.31274  -155.82835   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -143.40140  -155.82835   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -143.11005  -155.82835   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -148.33939  -155.82835   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -148.42805  -155.82835   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -148.13670  -155.82835   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -145.28811  -155.82835   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -145.37677  -155.82835   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -145.08542  -155.82835   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -146.46979  -155.82835   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -146.51412  -155.82835   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -146.36845  -155.82835   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -128.28105  -155.82835   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -128.32538  -155.82835   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -128.17970  -155.82835   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -143.58884  -155.82835   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -143.63317  -155.82835   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -143.48750  -155.82835   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -141.17525  -155.82835   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -141.26391  -155.82835   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -140.97256  -155.82835   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -132.32954  -155.82835   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -132.41820  -155.82835   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -132.12685  -155.82835   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -134.73056  -155.82835  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -134.81922  -155.82835  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -134.52787  -155.82835  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667  -114.34927  -155.82835  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667  -114.43793  -155.82835  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667  -114.14658  -155.82835  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -148.63211  -155.82835  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -121.32499  -155.82835  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -144.39694  -155.82835  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -144.46343  -155.82835  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -144.24492  -155.82835  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -145.56951  -155.82835  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -145.63600  -155.82835  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -145.41749  -155.82835  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -143.23743  -155.82835  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -143.32609  -155.82835  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -143.03474  -155.82835  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -134.39172  -155.82835  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -134.48038  -155.82835  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -134.18903  -155.82835  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -136.79274  -155.82835  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -136.88140  -155.82835  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -136.59005  -155.82835  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667  -116.41145  -155.82835  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667  -116.50011  -155.82835  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667  -116.20876  -155.82835  125
  Found two species comparison        coes        wu       1.00000     0.50000  -150.69428  -155.82835  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -123.38717  -155.82835  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -146.45912  -155.82835  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -146.52561  -155.82835  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -146.30710  -155.82835  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -147.63168  -155.82835  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -147.69818  -155.82835  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -147.47967  -155.82835  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -148.26408  -155.82835  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -148.35274  -155.82835  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -148.06139  -155.82835  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -139.41837  -155.82835  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -139.50703  -155.82835  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -139.21568  -155.82835  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -141.81939  -155.82835  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -141.90805  -155.82835  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -141.61670  -155.82835  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -121.43810  -155.82835  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -121.52676  -155.82835  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -121.23541  -155.82835  145
  Found two species comparison        st          wu       1.00000     0.50000  -155.72094  -155.82835  146
  Found two species comparison        st          wuls     1.00000     0.50000  -128.41382  -155.82835  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -151.48577  -155.82835  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -151.55226  -155.82835  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -151.33375  -155.82835  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -152.65834  -155.82835  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -152.72483  -155.82835  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -152.50632  -155.82835  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -145.21280  -155.82835  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -145.30146  -155.82835  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -145.01011  -155.82835  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -136.36709  -155.82835  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -136.45575  -155.82835  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -136.16440  -155.82835  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -138.76811  -155.82835  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -138.85677  -155.82835  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -138.56542  -155.82835  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667  -118.38682  -155.82835  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667  -118.47548  -155.82835  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667  -118.18413  -155.82835  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -152.66966  -155.82835  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -125.36254  -155.82835  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -148.43449  -155.82835  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -148.50098  -155.82835  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -148.28247  -155.82835  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -149.60706  -155.82835  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -149.67355  -155.82835  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -149.45504  -155.82835  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -149.41200  -155.82835  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -149.45633  -155.82835  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -149.31066  -155.82835  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -144.98915  -155.82835  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -145.03348  -155.82835  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -144.88780  -155.82835  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -143.20979  -155.82835  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -143.25412  -155.82835  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -143.10845  -155.82835  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -133.01915  -155.82835  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -133.06348  -155.82835  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -132.91780  -155.82835  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -150.16056  -155.82835  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -136.50701  -155.82835  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -148.04298  -155.82835  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -148.07623  -155.82835  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -147.96697  -155.82835  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -148.62926  -155.82835  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -148.66251  -155.82835  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -148.55326  -155.82835  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -131.22326  -155.82835  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -131.26758  -155.82835  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -131.12191  -155.82835  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -143.55118  -155.82835  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -143.59551  -155.82835  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -143.44984  -155.82835  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -126.80040  -155.82835  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -126.84473  -155.82835  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -126.69906  -155.82835  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -139.12833  -155.82835  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -139.17266  -155.82835  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -139.02699  -155.82835  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -125.02105  -155.82835  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -125.06538  -155.82835  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -124.91970  -155.82835  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333  -114.83040  -155.82835  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333  -114.87473  -155.82835  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333  -114.72906  -155.82835  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -131.97182  -155.82835  212
  Found two species comparison        flpv        wuls     1.00000     0.25000  -118.31826  -155.82835  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -129.85424  -155.82835  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -129.88748  -155.82835  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -129.77823  -155.82835  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -130.44052  -155.82835  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -130.47377  -155.82835  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -130.36451  -155.82835  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -142.05871  -155.82835  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -142.10304  -155.82835  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -141.95736  -155.82835  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -133.11806  -155.82835  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -133.16239  -155.82835  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -133.01672  -155.82835  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -147.27961  -155.82835  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -133.62606  -155.82835  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -145.16203  -155.82835  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -145.19528  -155.82835  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -145.08602  -155.82835  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -145.74831  -155.82835  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -145.78156  -155.82835  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -145.67231  -155.82835  233
 127 feri               1.00   0.00   2.00   0.00   0.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -133.59050        17.20000      1273.00000
  Found one species comparison        fa       1.00000  -127.75454  -133.59050    1
  Found one species comparison        fewa     1.00000  -132.36577  -133.59050    2
  Found one species comparison        feri     1.00000  -133.59050  -133.59050    3
Found three species comparison        fs          hem         fea      0.50000     0.33333     0.33333  -126.45456  -133.59050    4
Found three species comparison        fs          hem         feg      0.50000     0.33333     0.33333  -126.51535  -133.59050    5
Found three species comparison        fs          hem         fee      0.50000     0.33333     0.33333  -126.44322  -133.59050    6
Found three species comparison        fs          hepv        fea      0.50000     0.33333     0.33333  -126.33863  -133.59050    7
Found three species comparison        fs          hepv        feg      0.50000     0.33333     0.33333  -126.39942  -133.59050    8
Found three species comparison        fs          hepv        fee      0.50000     0.33333     0.33333  -126.32729  -133.59050    9
Found three species comparison        fs          hlpv        fea      0.50000     0.33333     0.33333  -122.40067  -133.59050   10
Found three species comparison        fs          hlpv        feg      0.50000     0.33333     0.33333  -122.46146  -133.59050   11
Found three species comparison        fs          hlpv        fee      0.50000     0.33333     0.33333  -122.38933  -133.59050   12
Found three species comparison        fs          hppv        fea      0.50000     0.33333     0.33333  -123.33134  -133.59050   13
Found three species comparison        fs          hppv        feg      0.50000     0.33333     0.33333  -123.39213  -133.59050   14
Found three species comparison        fs          hppv        fee      0.50000     0.33333     0.33333  -123.32000  -133.59050   15
Found three species comparison        fs          lppv        fea      0.50000     0.33333     0.33333  -113.41590  -133.59050   16
Found three species comparison        fs          lppv        feg      0.50000     0.33333     0.33333  -113.47670  -133.59050   17
Found three species comparison        fs          lppv        fee      0.50000     0.33333     0.33333  -113.40456  -133.59050   18
  Found two species comparison        fs          wu       0.50000     0.25000  -129.45217  -133.59050   19
  Found two species comparison        fs          wuls     0.50000     0.25000  -116.91824  -133.59050   20
Found three species comparison        fs          mag         fea      0.50000     0.25000     0.25000  -127.54709  -133.59050   21
Found three species comparison        fs          mag         feg      0.50000     0.25000     0.25000  -127.59268  -133.59050   22
Found three species comparison        fs          mag         fee      0.50000     0.25000     0.25000  -127.53858  -133.59050   23
Found three species comparison        fs          hmag        fea      0.50000     0.25000     0.25000  -128.21864  -133.59050   24
Found three species comparison        fs          hmag        feg      0.50000     0.25000     0.25000  -128.26424  -133.59050   25
Found three species comparison        fs          hmag        fee      0.50000     0.25000     0.25000  -128.21014  -133.59050   26
Found three species comparison        fec2        hem         fea      0.50000     0.33333     0.33333  -127.18118  -133.59050   27
Found three species comparison        fec2        hem         feg      0.50000     0.33333     0.33333  -127.24197  -133.59050   28
Found three species comparison        fec2        hem         fee      0.50000     0.33333     0.33333  -127.16984  -133.59050   29
Found three species comparison        fec2        hepv        fea      0.50000     0.33333     0.33333  -127.06524  -133.59050   30
Found three species comparison        fec2        hepv        feg      0.50000     0.33333     0.33333  -127.12604  -133.59050   31
Found three species comparison        fec2        hepv        fee      0.50000     0.33333     0.33333  -127.05390  -133.59050   32
Found three species comparison        fec2        hlpv        fea      0.50000     0.33333     0.33333  -123.12728  -133.59050   33
Found three species comparison        fec2        hlpv        feg      0.50000     0.33333     0.33333  -123.18808  -133.59050   34
Found three species comparison        fec2        hlpv        fee      0.50000     0.33333     0.33333  -123.11594  -133.59050   35
Found three species comparison        fec2        hppv        fea      0.50000     0.33333     0.33333  -124.05795  -133.59050   36
Found three species comparison        fec2        hppv        feg      0.50000     0.33333     0.33333  -124.11874  -133.59050   37
Found three species comparison        fec2        hppv        fee      0.50000     0.33333     0.33333  -124.04661  -133.59050   38
Found three species comparison        fec2        lppv        fea      0.50000     0.33333     0.33333  -114.14252  -133.59050   39
Found three species comparison        fec2        lppv        feg      0.50000     0.33333     0.33333  -114.20331  -133.59050   40
Found three species comparison        fec2        lppv        fee      0.50000     0.33333     0.33333  -114.13118  -133.59050   41
  Found two species comparison        fec2        wu       0.50000     0.25000  -130.17878  -133.59050   42
  Found two species comparison        fec2        wuls     0.50000     0.25000  -117.64485  -133.59050   43
Found three species comparison        fec2        mag         fea      0.50000     0.25000     0.25000  -128.27370  -133.59050   44
Found three species comparison        fec2        mag         feg      0.50000     0.25000     0.25000  -128.31929  -133.59050   45
Found three species comparison        fec2        mag         fee      0.50000     0.25000     0.25000  -128.26519  -133.59050   46
Found three species comparison        fec2        hmag        fea      0.50000     0.25000     0.25000  -128.94526  -133.59050   47
Found three species comparison        fec2        hmag        feg      0.50000     0.25000     0.25000  -128.99085  -133.59050   48
Found three species comparison        fec2        hmag        fee      0.50000     0.25000     0.25000  -128.93675  -133.59050   49
Found three species comparison        feil        hem         fea      1.00000     0.33333     0.33333  -129.42364  -133.59050   50
Found three species comparison        feil        hem         feg      1.00000     0.33333     0.33333  -129.48443  -133.59050   51
Found three species comparison        feil        hem         fee      1.00000     0.33333     0.33333  -129.41230  -133.59050   52
Found three species comparison        feil        hepv        fea      1.00000     0.33333     0.33333  -127.04030  -133.59050   53
Found three species comparison        feil        hepv        feg      1.00000     0.33333     0.33333  -127.10109  -133.59050   54
Found three species comparison        feil        hepv        fee      1.00000     0.33333     0.33333  -127.02896  -133.59050   55
Found three species comparison        feil        hlpv        fea      1.00000     0.33333     0.33333  -123.10234  -133.59050   56
Found three species comparison        feil        hlpv        feg      1.00000     0.33333     0.33333  -123.16313  -133.59050   57
Found three species comparison        feil        hlpv        fee      1.00000     0.33333     0.33333  -123.09100  -133.59050   58
Found three species comparison        feil        hppv        fea      1.00000     0.33333     0.33333  -124.03300  -133.59050   59
Found three species comparison        feil        hppv        feg      1.00000     0.33333     0.33333  -124.09380  -133.59050   60
Found three species comparison        feil        hppv        fee      1.00000     0.33333     0.33333  -124.02166  -133.59050   61
Found three species comparison        feil        lppv        fea      1.00000     0.33333     0.33333  -114.11757  -133.59050   62
Found three species comparison        feil        lppv        feg      1.00000     0.33333     0.33333  -114.17836  -133.59050   63
Found three species comparison        feil        lppv        fee      1.00000     0.33333     0.33333  -114.10623  -133.59050   64
  Found two species comparison        feil        wu       1.00000     0.25000  -130.15384  -133.59050   65
  Found two species comparison        feil        wuls     1.00000     0.25000  -117.61991  -133.59050   66
Found three species comparison        feil        mag         fea      1.00000     0.25000     0.25000  -128.24876  -133.59050   67
Found three species comparison        feil        mag         feg      1.00000     0.25000     0.25000  -128.29435  -133.59050   68
Found three species comparison        feil        mag         fee      1.00000     0.25000     0.25000  -128.24025  -133.59050   69
Found three species comparison        feil        hmag        fea      1.00000     0.25000     0.25000  -128.92031  -133.59050   70
Found three species comparison        feil        hmag        feg      1.00000     0.25000     0.25000  -128.96591  -133.59050   71
Found three species comparison        feil        hmag        fee      1.00000     0.25000     0.25000  -128.91181  -133.59050   72
Found three species comparison        hem         qtz         fea      0.66667     1.00000     0.66667  -119.67062  -133.59050   73
Found three species comparison        hem         qtz         feg      0.66667     1.00000     0.66667  -119.79220  -133.59050   74
Found three species comparison        hem         qtz         fee      0.66667     1.00000     0.66667  -119.64794  -133.59050   75
Found three species comparison        hem         coes        fea      0.66667     1.00000     0.66667  -121.54591  -133.59050   76
Found three species comparison        hem         coes        feg      0.66667     1.00000     0.66667  -121.66750  -133.59050   77
Found three species comparison        hem         coes        fee      0.66667     1.00000     0.66667  -121.52323  -133.59050   78
Found three species comparison        hem         st          fea      0.66667     1.00000     0.66667  -127.49940  -133.59050   79
Found three species comparison        hem         st          feg      0.66667     1.00000     0.66667  -127.62098  -133.59050   80
Found three species comparison        hem         st          fee      0.66667     1.00000     0.66667  -127.47672  -133.59050   81
Found three species comparison        hem         apbo        fea      0.66667     1.00000     0.66667  -124.57217  -133.59050   82
Found three species comparison        hem         apbo        feg      0.66667     1.00000     0.66667  -124.69375  -133.59050   83
Found three species comparison        hem         apbo        fee      0.66667     1.00000     0.66667  -124.54949  -133.59050   84
Found three species comparison        hem         fepv        fea      0.33333     1.00000     0.33333  -124.66975  -133.59050   85
Found three species comparison        hem         fepv        feg      0.33333     1.00000     0.33333  -124.73054  -133.59050   86
Found three species comparison        hem         fepv        fee      0.33333     1.00000     0.33333  -124.65841  -133.59050   87
Found three species comparison        hem         flpv        fea      0.33333     1.00000     0.33333  -106.70918  -133.59050   88
Found three species comparison        hem         flpv        feg      0.33333     1.00000     0.33333  -106.76998  -133.59050   89
Found three species comparison        hem         flpv        fee      0.33333     1.00000     0.33333  -106.69784  -133.59050   90
Found three species comparison        hem         fppv        fea      0.33333     1.00000     0.33333  -122.19870  -133.59050   91
Found three species comparison        hem         fppv        feg      0.33333     1.00000     0.33333  -122.25949  -133.59050   92
Found three species comparison        hem         fppv        fee      0.33333     1.00000     0.33333  -122.18736  -133.59050   93
Found three species comparison        qtz         hepv        fea      1.00000     0.66667     0.66667  -119.43876  -133.59050   94
Found three species comparison        qtz         hepv        feg      1.00000     0.66667     0.66667  -119.56034  -133.59050   95
Found three species comparison        qtz         hepv        fee      1.00000     0.66667     0.66667  -119.41608  -133.59050   96
Found three species comparison        qtz         hlpv        fea      1.00000     0.66667     0.66667  -111.56284  -133.59050   97
Found three species comparison        qtz         hlpv        feg      1.00000     0.66667     0.66667  -111.68442  -133.59050   98
Found three species comparison        qtz         hlpv        fee      1.00000     0.66667     0.66667  -111.54016  -133.59050   99
Found three species comparison        qtz         hppv        fea      1.00000     0.66667     0.66667  -113.42416  -133.59050  100
Found three species comparison        qtz         hppv        feg      1.00000     0.66667     0.66667  -113.54575  -133.59050  101
Found three species comparison        qtz         hppv        fee      1.00000     0.66667     0.66667  -113.40148  -133.59050  102
Found three species comparison        qtz         lppv        fea      1.00000     0.66667     0.66667   -93.59330  -133.59050  103
Found three species comparison        qtz         lppv        feg      1.00000     0.66667     0.66667   -93.71489  -133.59050  104
Found three species comparison        qtz         lppv        fee      1.00000     0.66667     0.66667   -93.57062  -133.59050  105
  Found two species comparison        qtz         wu       1.00000     0.50000  -125.66583  -133.59050  106
  Found two species comparison        qtz         wuls     1.00000     0.50000  -100.59797  -133.59050  107
Found three species comparison        qtz         mag         fea      1.00000     0.50000     0.50000  -121.85567  -133.59050  108
Found three species comparison        qtz         mag         feg      1.00000     0.50000     0.50000  -121.94685  -133.59050  109
Found three species comparison        qtz         mag         fee      1.00000     0.50000     0.50000  -121.83866  -133.59050  110
Found three species comparison        qtz         hmag        fea      1.00000     0.50000     0.50000  -123.19878  -133.59050  111
Found three species comparison        qtz         hmag        feg      1.00000     0.50000     0.50000  -123.28997  -133.59050  112
Found three species comparison        qtz         hmag        fee      1.00000     0.50000     0.50000  -123.18177  -133.59050  113
Found three species comparison        coes        hepv        fea      1.00000     0.66667     0.66667  -121.31405  -133.59050  114
Found three species comparison        coes        hepv        feg      1.00000     0.66667     0.66667  -121.43563  -133.59050  115
Found three species comparison        coes        hepv        fee      1.00000     0.66667     0.66667  -121.29137  -133.59050  116
Found three species comparison        coes        hlpv        fea      1.00000     0.66667     0.66667  -113.43813  -133.59050  117
Found three species comparison        coes        hlpv        feg      1.00000     0.66667     0.66667  -113.55971  -133.59050  118
Found three species comparison        coes        hlpv        fee      1.00000     0.66667     0.66667  -113.41545  -133.59050  119
Found three species comparison        coes        hppv        fea      1.00000     0.66667     0.66667  -115.29946  -133.59050  120
Found three species comparison        coes        hppv        feg      1.00000     0.66667     0.66667  -115.42104  -133.59050  121
Found three species comparison        coes        hppv        fee      1.00000     0.66667     0.66667  -115.27678  -133.59050  122
Found three species comparison        coes        lppv        fea      1.00000     0.66667     0.66667   -95.46860  -133.59050  123
Found three species comparison        coes        lppv        feg      1.00000     0.66667     0.66667   -95.59018  -133.59050  124
Found three species comparison        coes        lppv        fee      1.00000     0.66667     0.66667   -95.44592  -133.59050  125
  Found two species comparison        coes        wu       1.00000     0.50000  -127.54113  -133.59050  126
  Found two species comparison        coes        wuls     1.00000     0.50000  -102.47327  -133.59050  127
Found three species comparison        coes        mag         fea      1.00000     0.50000     0.50000  -123.73096  -133.59050  128
Found three species comparison        coes        mag         feg      1.00000     0.50000     0.50000  -123.82215  -133.59050  129
Found three species comparison        coes        mag         fee      1.00000     0.50000     0.50000  -123.71395  -133.59050  130
Found three species comparison        coes        hmag        fea      1.00000     0.50000     0.50000  -125.07408  -133.59050  131
Found three species comparison        coes        hmag        feg      1.00000     0.50000     0.50000  -125.16526  -133.59050  132
Found three species comparison        coes        hmag        fee      1.00000     0.50000     0.50000  -125.05707  -133.59050  133
Found three species comparison        st          hepv        fea      1.00000     0.66667     0.66667  -127.26754  -133.59050  134
Found three species comparison        st          hepv        feg      1.00000     0.66667     0.66667  -127.38912  -133.59050  135
Found three species comparison        st          hepv        fee      1.00000     0.66667     0.66667  -127.24486  -133.59050  136
Found three species comparison        st          hlpv        fea      1.00000     0.66667     0.66667  -119.39162  -133.59050  137
Found three species comparison        st          hlpv        feg      1.00000     0.66667     0.66667  -119.51320  -133.59050  138
Found three species comparison        st          hlpv        fee      1.00000     0.66667     0.66667  -119.36894  -133.59050  139
Found three species comparison        st          hppv        fea      1.00000     0.66667     0.66667  -121.25295  -133.59050  140
Found three species comparison        st          hppv        feg      1.00000     0.66667     0.66667  -121.37453  -133.59050  141
Found three species comparison        st          hppv        fee      1.00000     0.66667     0.66667  -121.23027  -133.59050  142
Found three species comparison        st          lppv        fea      1.00000     0.66667     0.66667  -101.42208  -133.59050  143
Found three species comparison        st          lppv        feg      1.00000     0.66667     0.66667  -101.54367  -133.59050  144
Found three species comparison        st          lppv        fee      1.00000     0.66667     0.66667  -101.39940  -133.59050  145
  Found two species comparison        st          wu       1.00000     0.50000  -133.49461  -133.59050  146
  Found two species comparison        st          wuls     1.00000     0.50000  -108.42675  -133.59050  147
Found three species comparison        st          mag         fea      1.00000     0.50000     0.50000  -129.68445  -133.59050  148
Found three species comparison        st          mag         feg      1.00000     0.50000     0.50000  -129.77563  -133.59050  149
Found three species comparison        st          mag         fee      1.00000     0.50000     0.50000  -129.66744  -133.59050  150
Found three species comparison        st          hmag        fea      1.00000     0.50000     0.50000  -131.02756  -133.59050  151
Found three species comparison        st          hmag        feg      1.00000     0.50000     0.50000  -131.11875  -133.59050  152
Found three species comparison        st          hmag        fee      1.00000     0.50000     0.50000  -131.01055  -133.59050  153
Found three species comparison        apbo        hepv        fea      1.00000     0.66667     0.66667  -124.34030  -133.59050  154
Found three species comparison        apbo        hepv        feg      1.00000     0.66667     0.66667  -124.46189  -133.59050  155
Found three species comparison        apbo        hepv        fee      1.00000     0.66667     0.66667  -124.31762  -133.59050  156
Found three species comparison        apbo        hlpv        fea      1.00000     0.66667     0.66667  -116.46438  -133.59050  157
Found three species comparison        apbo        hlpv        feg      1.00000     0.66667     0.66667  -116.58597  -133.59050  158
Found three species comparison        apbo        hlpv        fee      1.00000     0.66667     0.66667  -116.44170  -133.59050  159
Found three species comparison        apbo        hppv        fea      1.00000     0.66667     0.66667  -118.32571  -133.59050  160
Found three species comparison        apbo        hppv        feg      1.00000     0.66667     0.66667  -118.44730  -133.59050  161
Found three species comparison        apbo        hppv        fee      1.00000     0.66667     0.66667  -118.30303  -133.59050  162
Found three species comparison        apbo        lppv        fea      1.00000     0.66667     0.66667   -98.49485  -133.59050  163
Found three species comparison        apbo        lppv        feg      1.00000     0.66667     0.66667   -98.61643  -133.59050  164
Found three species comparison        apbo        lppv        fee      1.00000     0.66667     0.66667   -98.47217  -133.59050  165
  Found two species comparison        apbo        wu       1.00000     0.50000  -130.56738  -133.59050  166
  Found two species comparison        apbo        wuls     1.00000     0.50000  -105.49952  -133.59050  167
Found three species comparison        apbo        mag         fea      1.00000     0.50000     0.50000  -126.75721  -133.59050  168
Found three species comparison        apbo        mag         feg      1.00000     0.50000     0.50000  -126.84840  -133.59050  169
Found three species comparison        apbo        mag         fee      1.00000     0.50000     0.50000  -126.74020  -133.59050  170
Found three species comparison        apbo        hmag        fea      1.00000     0.50000     0.50000  -128.10033  -133.59050  171
Found three species comparison        apbo        hmag        feg      1.00000     0.50000     0.50000  -128.19152  -133.59050  172
Found three species comparison        apbo        hmag        fee      1.00000     0.50000     0.50000  -128.08332  -133.59050  173
Found three species comparison        fepv        hepv        fea      1.00000     0.33333     0.33333  -126.82122  -133.59050  174
Found three species comparison        fepv        hepv        feg      1.00000     0.33333     0.33333  -126.88202  -133.59050  175
Found three species comparison        fepv        hepv        fee      1.00000     0.33333     0.33333  -126.80988  -133.59050  176
Found three species comparison        fepv        hlpv        fea      1.00000     0.33333     0.33333  -122.88326  -133.59050  177
Found three species comparison        fepv        hlpv        feg      1.00000     0.33333     0.33333  -122.94406  -133.59050  178
Found three species comparison        fepv        hlpv        fee      1.00000     0.33333     0.33333  -122.87192  -133.59050  179
Found three species comparison        fepv        hppv        fea      1.00000     0.33333     0.33333  -121.54652  -133.59050  180
Found three species comparison        fepv        hppv        feg      1.00000     0.33333     0.33333  -121.60732  -133.59050  181
Found three species comparison        fepv        hppv        fee      1.00000     0.33333     0.33333  -121.53518  -133.59050  182
Found three species comparison        fepv        lppv        fea      1.00000     0.33333     0.33333  -111.63109  -133.59050  183
Found three species comparison        fepv        lppv        feg      1.00000     0.33333     0.33333  -111.69188  -133.59050  184
Found three species comparison        fepv        lppv        fee      1.00000     0.33333     0.33333  -111.61975  -133.59050  185
  Found two species comparison        fepv        wu       1.00000     0.25000  -127.66736  -133.59050  186
  Found two species comparison        fepv        wuls     1.00000     0.25000  -115.13343  -133.59050  187
Found three species comparison        fepv        mag         fea      1.00000     0.25000     0.25000  -125.76227  -133.59050  188
Found three species comparison        fepv        mag         feg      1.00000     0.25000     0.25000  -125.80787  -133.59050  189
Found three species comparison        fepv        mag         fee      1.00000     0.25000     0.25000  -125.75377  -133.59050  190
Found three species comparison        fepv        hmag        fea      1.00000     0.25000     0.25000  -126.43383  -133.59050  191
Found three species comparison        fepv        hmag        feg      1.00000     0.25000     0.25000  -126.47943  -133.59050  192
Found three species comparison        fepv        hmag        fee      1.00000     0.25000     0.25000  -126.42533  -133.59050  193
Found three species comparison        hepv        flpv        fea      0.33333     1.00000     0.33333  -108.86066  -133.59050  194
Found three species comparison        hepv        flpv        feg      0.33333     1.00000     0.33333  -108.92145  -133.59050  195
Found three species comparison        hepv        flpv        fee      0.33333     1.00000     0.33333  -108.84932  -133.59050  196
Found three species comparison        hepv        fppv        fea      0.33333     1.00000     0.33333  -122.08277  -133.59050  197
Found three species comparison        hepv        fppv        feg      0.33333     1.00000     0.33333  -122.14356  -133.59050  198
Found three species comparison        hepv        fppv        fee      0.33333     1.00000     0.33333  -122.07143  -133.59050  199
Found three species comparison        hlpv        flpv        fea      0.33333     1.00000     0.33333  -104.92270  -133.59050  200
Found three species comparison        hlpv        flpv        feg      0.33333     1.00000     0.33333  -104.98349  -133.59050  201
Found three species comparison        hlpv        flpv        fee      0.33333     1.00000     0.33333  -104.91136  -133.59050  202
Found three species comparison        hlpv        fppv        fea      0.33333     1.00000     0.33333  -118.14481  -133.59050  203
Found three species comparison        hlpv        fppv        feg      0.33333     1.00000     0.33333  -118.20560  -133.59050  204
Found three species comparison        hlpv        fppv        fee      0.33333     1.00000     0.33333  -118.13347  -133.59050  205
Found three species comparison        flpv        hppv        fea      1.00000     0.33333     0.33333  -103.58596  -133.59050  206
Found three species comparison        flpv        hppv        feg      1.00000     0.33333     0.33333  -103.64675  -133.59050  207
Found three species comparison        flpv        hppv        fee      1.00000     0.33333     0.33333  -103.57462  -133.59050  208
Found three species comparison        flpv        lppv        fea      1.00000     0.33333     0.33333   -93.67053  -133.59050  209
Found three species comparison        flpv        lppv        feg      1.00000     0.33333     0.33333   -93.73132  -133.59050  210
Found three species comparison        flpv        lppv        fee      1.00000     0.33333     0.33333   -93.65919  -133.59050  211
  Found two species comparison        flpv        wu       1.00000     0.25000  -109.70679  -133.59050  212
  Found two species comparison        flpv        wuls     1.00000     0.25000   -97.17286  -133.59050  213
Found three species comparison        flpv        mag         fea      1.00000     0.25000     0.25000  -107.80171  -133.59050  214
Found three species comparison        flpv        mag         feg      1.00000     0.25000     0.25000  -107.84730  -133.59050  215
Found three species comparison        flpv        mag         fee      1.00000     0.25000     0.25000  -107.79320  -133.59050  216
Found three species comparison        flpv        hmag        fea      1.00000     0.25000     0.25000  -108.47327  -133.59050  217
Found three species comparison        flpv        hmag        feg      1.00000     0.25000     0.25000  -108.51886  -133.59050  218
Found three species comparison        flpv        hmag        fee      1.00000     0.25000     0.25000  -108.46476  -133.59050  219
Found three species comparison        fppv        hppv        fea      1.00000     0.33333     0.33333  -120.09288  -133.59050  220
Found three species comparison        fppv        hppv        feg      1.00000     0.33333     0.33333  -120.15367  -133.59050  221
Found three species comparison        fppv        hppv        fee      1.00000     0.33333     0.33333  -120.08154  -133.59050  222
Found three species comparison        fppv        lppv        fea      1.00000     0.33333     0.33333  -111.42745  -133.59050  223
Found three species comparison        fppv        lppv        feg      1.00000     0.33333     0.33333  -111.48824  -133.59050  224
Found three species comparison        fppv        lppv        fee      1.00000     0.33333     0.33333  -111.41611  -133.59050  225
  Found two species comparison        fppv        wu       1.00000     0.25000  -125.19631  -133.59050  226
  Found two species comparison        fppv        wuls     1.00000     0.25000  -112.66238  -133.59050  227
Found three species comparison        fppv        mag         fea      1.00000     0.25000     0.25000  -123.29123  -133.59050  228
Found three species comparison        fppv        mag         feg      1.00000     0.25000     0.25000  -123.33682  -133.59050  229
Found three species comparison        fppv        mag         fee      1.00000     0.25000     0.25000  -123.28272  -133.59050  230
Found three species comparison        fppv        hmag        fea      1.00000     0.25000     0.25000  -123.96278  -133.59050  231
Found three species comparison        fppv        hmag        feg      1.00000     0.25000     0.25000  -124.00838  -133.59050  232
Found three species comparison        fppv        hmag        fee      1.00000     0.25000     0.25000  -123.95428  -133.59050  233
 128 di                 2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    1      -354.59356         0.00000      1665.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -342.69702  -354.59356    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -342.20993  -354.59356    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -339.39563  -354.59356    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -338.02978  -354.59356    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -340.89953  -354.59356    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -340.41244  -354.59356    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -337.59814  -354.59356    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -336.23229  -354.59356    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -339.89610  -354.59356    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -339.40901  -354.59356   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -336.59471  -354.59356   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -335.22886  -354.59356   12
  Found two species comparison        en          capv     0.50000     1.00000  -342.72403  -354.59356   13
  Found one species comparison        odi      1.00000  -354.60592  -354.59356   14
  Found one species comparison        di       1.00000  -354.59356  -354.59356   15
  Found two species comparison        cen         capv     0.50000     1.00000  -342.56619  -354.59356   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -342.28566  -354.59356   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -335.86902  -354.59356   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -339.12801  -354.59356   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -340.11552  -354.59356   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -339.14134  -354.59356   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -333.51274  -354.59356   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -330.78104  -354.59356   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -332.20837  -354.59356   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -326.38005  -354.59356   25
 129 di                 2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    1      -304.32126        14.00000      2400.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -299.26623  -304.32126    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -299.93985  -304.32126    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -300.44814  -304.32126    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -299.24484  -304.32126    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -299.08248  -304.32126    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -299.75610  -304.32126    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -300.26439  -304.32126    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -299.06109  -304.32126    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -298.65937  -304.32126    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -299.33299  -304.32126   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -299.84128  -304.32126   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -298.63798  -304.32126   12
  Found two species comparison        en          capv     0.50000     1.00000  -301.62730  -304.32126   13
  Found one species comparison        odi      1.00000  -303.58047  -304.32126   14
  Found one species comparison        di       1.00000  -304.32126  -304.32126   15
  Found two species comparison        cen         capv     0.50000     1.00000  -301.15417  -304.32126   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -301.63210  -304.32126   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -299.65294  -304.32126   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -301.21576  -304.32126   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -296.08005  -304.32126   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -297.42728  -304.32126   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -298.44386  -304.32126   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -296.03726  -304.32126   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -298.99388  -304.32126   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -293.80426  -304.32126   25
 130 di                 2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    1      -226.71523        17.00000      1273.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -223.28668  -226.71523    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -223.93896  -226.71523    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -225.97709  -226.71523    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -224.94951  -226.71523    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -223.71134  -226.71523    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -224.36361  -226.71523    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -226.40174  -226.71523    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -225.37416  -226.71523    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -223.70788  -226.71523    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -224.36015  -226.71523   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -226.39829  -226.71523   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -225.37070  -226.71523   12
  Found two species comparison        en          capv     0.50000     1.00000  -225.58026  -226.71523   13
  Found one species comparison        odi      1.00000  -223.86545  -226.71523   14
  Found one species comparison        di       1.00000  -226.71523  -226.71523   15
  Found two species comparison        cen         capv     0.50000     1.00000  -225.10873  -226.71523   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -225.99735  -226.71523   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -226.28226  -226.71523   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -225.74152  -226.71523   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -220.09313  -226.71523   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -221.39767  -226.71523   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -225.47394  -226.71523   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -223.41877  -226.71523   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -225.04989  -226.71523   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -220.83733  -226.71523   25
 131 di                 2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    1      -232.74980        17.50000      1473.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -229.44129  -232.74980    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -230.13870  -232.74980    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -232.12585  -232.74980    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -231.08440  -232.74980    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -229.85278  -232.74980    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -230.55019  -232.74980    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -232.53734  -232.74980    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -231.49589  -232.74980    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -229.82731  -232.74980    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -230.52471  -232.74980   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -232.51186  -232.74980   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -231.47042  -232.74980   12
  Found two species comparison        en          capv     0.50000     1.00000  -231.86807  -232.74980   13
  Found one species comparison        odi      1.00000  -230.19926  -232.74980   14
  Found one species comparison        di       1.00000  -232.74980  -232.74980   15
  Found two species comparison        cen         capv     0.50000     1.00000  -231.34589  -232.74980   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -232.20849  -232.74980   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -232.41980  -232.74980   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -232.08731  -232.74980   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -226.23301  -232.74980   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -227.62783  -232.74980   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -231.60213  -232.74980   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -229.51923  -232.74980   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -231.40987  -232.74980   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -227.08400  -232.74980   25
 132 di                 2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    1      -242.47378        17.50000      1673.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -239.08177  -242.47378    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -239.81105  -242.47378    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -241.63726  -242.47378    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -240.57399  -242.47378    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -239.43361  -242.47378    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -240.16290  -242.47378    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -241.98911  -242.47378    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -240.92584  -242.47378    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -239.36410  -242.47378    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -240.09339  -242.47378   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -241.91960  -242.47378   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -240.85633  -242.47378   12
  Found two species comparison        en          capv     0.50000     1.00000  -241.59517  -242.47378   13
  Found one species comparison        odi      1.00000  -240.28514  -242.47378   14
  Found one species comparison        di       1.00000  -242.47378  -242.47378   15
  Found two species comparison        cen         capv     0.50000     1.00000  -241.03354  -242.47378   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -241.84588  -242.47378   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -241.83488  -242.47378   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -241.79066  -242.47378   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -235.85940  -242.47378   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -237.31797  -242.47378   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -240.97039  -242.47378   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -238.84385  -242.47378   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -240.98381  -242.47378   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -236.51221  -242.47378   25
 133 di                 2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    1      -232.74980        17.50000      1473.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -229.44129  -232.74980    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -230.13870  -232.74980    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -232.12585  -232.74980    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -231.08440  -232.74980    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -229.85278  -232.74980    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -230.55019  -232.74980    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -232.53734  -232.74980    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -231.49589  -232.74980    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -229.82731  -232.74980    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -230.52471  -232.74980   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -232.51186  -232.74980   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -231.47042  -232.74980   12
  Found two species comparison        en          capv     0.50000     1.00000  -231.86807  -232.74980   13
  Found one species comparison        odi      1.00000  -230.19926  -232.74980   14
  Found one species comparison        di       1.00000  -232.74980  -232.74980   15
  Found two species comparison        cen         capv     0.50000     1.00000  -231.34589  -232.74980   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -232.20849  -232.74980   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -232.41980  -232.74980   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -232.08731  -232.74980   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -226.23301  -232.74980   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -227.62783  -232.74980   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -231.60213  -232.74980   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -229.51923  -232.74980   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -231.40987  -232.74980   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -227.08400  -232.74980   25
 134 di                 2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    1      -258.90139        16.50000      1873.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -255.00834  -258.90139    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -255.73749  -258.90139    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -257.18487  -258.90139    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -256.08365  -258.90139    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -255.20685  -258.90139    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -255.93599  -258.90139    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -257.38338  -258.90139    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -256.28216  -258.90139    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -255.04678  -258.90139    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -255.77592  -258.90139   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -257.22331  -258.90139   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -256.12209  -258.90139   12
  Found two species comparison        en          capv     0.50000     1.00000  -257.50441  -258.90139   13
  Found one species comparison        odi      1.00000  -257.17236  -258.90139   14
  Found one species comparison        di       1.00000  -258.90139  -258.90139   15
  Found two species comparison        cen         capv     0.50000     1.00000  -256.93853  -258.90139   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -257.65199  -258.90139   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -257.11193  -258.90139   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -257.51671  -258.90139   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -251.77571  -258.90139   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -253.23400  -258.90139   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -256.12877  -258.90139   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -253.92632  -258.90139   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -256.29025  -258.90139   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -251.60774  -258.90139   25
 135 di                 2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    1      -263.69485        17.50000      2073.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -260.18979  -263.69485    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -260.97292  -263.69485    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -262.49078  -263.69485    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -261.38303  -263.69485    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -260.42955  -263.69485    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -261.21268  -263.69485    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -262.73054  -263.69485    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -261.62279  -263.69485    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -260.26597  -263.69485    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -261.04909  -263.69485   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -262.56695  -263.69485   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -261.45920  -263.69485   12
  Found two species comparison        en          capv     0.50000     1.00000  -262.85854  -263.69485   13
  Found one species comparison        odi      1.00000  -262.18678  -263.69485   14
  Found one species comparison        di       1.00000  -263.69485  -263.69485   15
  Found two species comparison        cen         capv     0.50000     1.00000  -262.24180  -263.69485   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -262.96151  -263.69485   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -262.49407  -263.69485   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -263.02148  -263.69485   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -256.95799  -263.69485   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -258.52425  -263.69485   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -261.55997  -263.69485   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -259.34447  -263.69485   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -261.99145  -263.69485   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -257.24165  -263.69485   25
 136 capvmgwast         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    3      -223.79363        17.50000      1273.00000
Found three species comparison        fo          capv        qtz      1.00000     2.00000     1.00000  -220.50633  -223.79363    1
Found three species comparison        fo          capv        coes     1.00000     2.00000     1.00000  -221.16864  -223.79363    2
Found three species comparison        fo          capv        st       1.00000     2.00000     1.00000  -223.32042  -223.79363    3
Found three species comparison        fo          capv        apbo     1.00000     2.00000     1.00000  -222.30046  -223.79363    4
Found three species comparison        mgwa        capv        qtz      1.00000     2.00000     1.00000  -220.97953  -223.79363    5
Found three species comparison        mgwa        capv        coes     1.00000     2.00000     1.00000  -221.64184  -223.79363    6
Found three species comparison        mgwa        capv        st       1.00000     2.00000     1.00000  -223.79363  -223.79363    7
Found three species comparison        mgwa        capv        apbo     1.00000     2.00000     1.00000  -222.77367  -223.79363    8
Found three species comparison        mgri        capv        qtz      1.00000     2.00000     1.00000  -220.99614  -223.79363    9
Found three species comparison        mgri        capv        coes     1.00000     2.00000     1.00000  -221.65845  -223.79363   10
Found three species comparison        mgri        capv        st       1.00000     2.00000     1.00000  -223.81023  -223.79363   11
Found three species comparison        mgri        capv        apbo     1.00000     2.00000     1.00000  -222.79027  -223.79363   12
  Found two species comparison        en          capv     1.00000     2.00000  -222.84081  -223.79363   13
  Found one species comparison        odi      2.00000  -220.78880  -223.79363   14
  Found one species comparison        di       2.00000  -223.71464  -223.79363   15
  Found two species comparison        cen         capv     1.00000     2.00000  -222.36570  -223.79363   16
  Found two species comparison        mgc2        capv     1.00000     2.00000  -223.28094  -223.79363   17
  Found two species comparison        capv        mgil     2.00000     2.00000  -223.71002  -223.79363   18
  Found two species comparison        capv        mgmj     2.00000     0.50000  -223.08856  -223.79363   19
Found three species comparison        capv        qtz         pe       2.00000     2.00000     0.50000  -217.31810  -223.79363   20
Found three species comparison        capv        coes        pe       2.00000     2.00000     0.50000  -218.64272  -223.79363   21
Found three species comparison        capv        st          pe       2.00000     2.00000     0.50000  -222.94628  -223.79363   22
Found three species comparison        capv        apbo        pe       2.00000     2.00000     0.50000  -220.90636  -223.79363   23
  Found two species comparison        capv        mgpv     2.00000     2.00000  -222.55156  -223.79363   24
  Found two species comparison        capv        mppv     2.00000     2.00000  -218.37448  -223.79363   25
 137 capvmgwast         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    3      -221.19061        18.00000      1273.00000
Found three species comparison        fo          capv        qtz      1.00000     2.00000     1.00000  -217.73320  -221.19061    1
Found three species comparison        fo          capv        coes     1.00000     2.00000     1.00000  -218.40501  -221.19061    2
Found three species comparison        fo          capv        st       1.00000     2.00000     1.00000  -220.66940  -221.19061    3
Found three species comparison        fo          capv        apbo     1.00000     2.00000     1.00000  -219.65703  -221.19061    4
Found three species comparison        mgwa        capv        qtz      1.00000     2.00000     1.00000  -218.25442  -221.19061    5
Found three species comparison        mgwa        capv        coes     1.00000     2.00000     1.00000  -218.92623  -221.19061    6
Found three species comparison        mgwa        capv        st       1.00000     2.00000     1.00000  -221.19061  -221.19061    7
Found three species comparison        mgwa        capv        apbo     1.00000     2.00000     1.00000  -220.17824  -221.19061    8
Found three species comparison        mgri        capv        qtz      1.00000     2.00000     1.00000  -218.29086  -221.19061    9
Found three species comparison        mgri        capv        coes     1.00000     2.00000     1.00000  -218.96267  -221.19061   10
Found three species comparison        mgri        capv        st       1.00000     2.00000     1.00000  -221.22706  -221.19061   11
Found three species comparison        mgri        capv        apbo     1.00000     2.00000     1.00000  -220.21469  -221.19061   12
  Found two species comparison        en          capv     1.00000     2.00000  -220.10736  -221.19061   13
  Found one species comparison        odi      2.00000  -217.71988  -221.19061   14
  Found one species comparison        di       2.00000  -220.72243  -221.19061   15
  Found two species comparison        cen         capv     1.00000     2.00000  -219.62908  -221.19061   16
  Found two species comparison        mgc2        capv     1.00000     2.00000  -220.57053  -221.19061   17
  Found two species comparison        capv        mgil     2.00000     2.00000  -221.14252  -221.19061   18
  Found two species comparison        capv        mgmj     2.00000     0.50000  -220.44106  -221.19061   19
Found three species comparison        capv        qtz         pe       2.00000     2.00000     0.50000  -214.55095  -221.19061   20
Found three species comparison        capv        coes        pe       2.00000     2.00000     0.50000  -215.89457  -221.19061   21
Found three species comparison        capv        st          pe       2.00000     2.00000     0.50000  -220.42334  -221.19061   22
Found three species comparison        capv        apbo        pe       2.00000     2.00000     0.50000  -218.39859  -221.19061   23
  Found two species comparison        capv        mgpv     2.00000     2.00000  -220.05766  -221.19061   24
  Found two species comparison        capv        mppv     2.00000     2.00000  -215.91585  -221.19061   25
 138 capvmgwast         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    3      -229.92032        18.00000      1473.00000
Found three species comparison        fo          capv        qtz      1.00000     2.00000     1.00000  -226.65410  -229.92032    1
Found three species comparison        fo          capv        coes     1.00000     2.00000     1.00000  -227.36226  -229.92032    2
Found three species comparison        fo          capv        st       1.00000     2.00000     1.00000  -229.46108  -229.92032    3
Found three species comparison        fo          capv        apbo     1.00000     2.00000     1.00000  -228.42730  -229.92032    4
Found three species comparison        mgwa        capv        qtz      1.00000     2.00000     1.00000  -227.11334  -229.92032    5
Found three species comparison        mgwa        capv        coes     1.00000     2.00000     1.00000  -227.82151  -229.92032    6
Found three species comparison        mgwa        capv        st       1.00000     2.00000     1.00000  -229.92032  -229.92032    7
Found three species comparison        mgwa        capv        apbo     1.00000     2.00000     1.00000  -228.88655  -229.92032    8
Found three species comparison        mgri        capv        qtz      1.00000     2.00000     1.00000  -227.10836  -229.92032    9
Found three species comparison        mgri        capv        coes     1.00000     2.00000     1.00000  -227.81653  -229.92032   10
Found three species comparison        mgri        capv        st       1.00000     2.00000     1.00000  -229.91534  -229.92032   11
Found three species comparison        mgri        capv        apbo     1.00000     2.00000     1.00000  -228.88157  -229.92032   12
  Found two species comparison        en          capv     1.00000     2.00000  -229.12298  -229.92032   13
  Found one species comparison        odi      2.00000  -227.12369  -229.92032   14
  Found one species comparison        di       2.00000  -229.74446  -229.92032   15
  Found two species comparison        cen         capv     1.00000     2.00000  -228.59439  -229.92032   16
  Found two species comparison        mgc2        capv     1.00000     2.00000  -229.48285  -229.92032   17
  Found two species comparison        capv        mgil     2.00000     2.00000  -229.83917  -229.92032   18
  Found two species comparison        capv        mgmj     2.00000     0.50000  -229.42660  -229.92032   19
Found three species comparison        capv        qtz         pe       2.00000     2.00000     0.50000  -223.45059  -229.92032   20
Found three species comparison        capv        coes        pe       2.00000     2.00000     0.50000  -224.86692  -229.92032   21
Found three species comparison        capv        st          pe       2.00000     2.00000     0.50000  -229.06455  -229.92032   22
Found three species comparison        capv        apbo        pe       2.00000     2.00000     0.50000  -226.99700  -229.92032   23
  Found two species comparison        capv        mgpv     2.00000     2.00000  -228.90141  -229.92032   24
  Found two species comparison        capv        mppv     2.00000     2.00000  -224.61062  -229.92032   25
 139 capvmgwast         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    3      -234.11050        19.00000      1673.00000
Found three species comparison        fo          capv        qtz      1.00000     2.00000     1.00000  -230.69888  -234.11050    1
Found three species comparison        fo          capv        coes     1.00000     2.00000     1.00000  -231.46268  -234.11050    2
Found three species comparison        fo          capv        st       1.00000     2.00000     1.00000  -233.61784  -234.11050    3
Found three species comparison        fo          capv        apbo     1.00000     2.00000     1.00000  -232.57774  -234.11050    4
Found three species comparison        mgwa        capv        qtz      1.00000     2.00000     1.00000  -231.19153  -234.11050    5
Found three species comparison        mgwa        capv        coes     1.00000     2.00000     1.00000  -231.95533  -234.11050    6
Found three species comparison        mgwa        capv        st       1.00000     2.00000     1.00000  -234.11050  -234.11050    7
Found three species comparison        mgwa        capv        apbo     1.00000     2.00000     1.00000  -233.07039  -234.11050    8
Found three species comparison        mgri        capv        qtz      1.00000     2.00000     1.00000  -231.18488  -234.11050    9
Found three species comparison        mgri        capv        coes     1.00000     2.00000     1.00000  -231.94868  -234.11050   10
Found three species comparison        mgri        capv        st       1.00000     2.00000     1.00000  -234.10384  -234.11050   11
Found three species comparison        mgri        capv        apbo     1.00000     2.00000     1.00000  -233.06374  -234.11050   12
  Found two species comparison        en          capv     1.00000     2.00000  -233.34242  -234.11050   13
  Found one species comparison        odi      2.00000  -231.06149  -234.11050   14
  Found one species comparison        di       2.00000  -233.44313  -234.11050   15
  Found two species comparison        cen         capv     1.00000     2.00000  -232.75292  -234.11050   16
  Found two species comparison        mgc2        capv     1.00000     2.00000  -233.64048  -234.11050   17
  Found two species comparison        capv        mgil     2.00000     2.00000  -234.06698  -234.11050   18
  Found two species comparison        capv        mgmj     2.00000     0.50000  -233.78459  -234.11050   19
Found three species comparison        capv        qtz         pe       2.00000     2.00000     0.50000  -227.48902  -234.11050   20
Found three species comparison        capv        coes        pe       2.00000     2.00000     0.50000  -229.01661  -234.11050   21
Found three species comparison        capv        st          pe       2.00000     2.00000     0.50000  -233.32694  -234.11050   22
Found three species comparison        capv        apbo        pe       2.00000     2.00000     0.50000  -231.24673  -234.11050   23
  Found two species comparison        capv        mgpv     2.00000     2.00000  -233.42721  -234.11050   24
  Found two species comparison        capv        mppv     2.00000     2.00000  -229.05939  -234.11050   25
 140 capvmgrist         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    3      -224.73720        19.00000      1473.00000
Found three species comparison        fo          capv        qtz      1.00000     2.00000     1.00000  -221.10152  -224.73720    1
Found three species comparison        fo          capv        coes     1.00000     2.00000     1.00000  -221.82959  -224.73720    2
Found three species comparison        fo          capv        st       1.00000     2.00000     1.00000  -224.14869  -224.73720    3
Found three species comparison        fo          capv        apbo     1.00000     2.00000     1.00000  -223.13014  -224.73720    4
Found three species comparison        mgwa        capv        qtz      1.00000     2.00000     1.00000  -221.65467  -224.73720    5
Found three species comparison        mgwa        capv        coes     1.00000     2.00000     1.00000  -222.38274  -224.73720    6
Found three species comparison        mgwa        capv        st       1.00000     2.00000     1.00000  -224.70184  -224.73720    7
Found three species comparison        mgwa        capv        apbo     1.00000     2.00000     1.00000  -223.68329  -224.73720    8
Found three species comparison        mgri        capv        qtz      1.00000     2.00000     1.00000  -221.69003  -224.73720    9
Found three species comparison        mgri        capv        coes     1.00000     2.00000     1.00000  -222.41810  -224.73720   10
Found three species comparison        mgri        capv        st       1.00000     2.00000     1.00000  -224.73720  -224.73720   11
Found three species comparison        mgri        capv        apbo     1.00000     2.00000     1.00000  -223.71865  -224.73720   12
  Found two species comparison        en          capv     1.00000     2.00000  -223.65098  -224.73720   13
  Found one species comparison        odi      2.00000  -220.99570  -224.73720   14
  Found one species comparison        di       2.00000  -223.75897  -224.73720   15
  Found two species comparison        cen         capv     1.00000     2.00000  -223.11079  -224.73720   16
  Found two species comparison        mgc2        capv     1.00000     2.00000  -224.04977  -224.73720   17
  Found two species comparison        capv        mgil     2.00000     2.00000  -224.69233  -224.73720   18
  Found two species comparison        capv        mgmj     2.00000     0.50000  -224.12171  -224.73720   19
Found three species comparison        capv        qtz         pe       2.00000     2.00000     0.50000  -217.90947  -224.73720   20
Found three species comparison        capv        coes        pe       2.00000     2.00000     0.50000  -219.36560  -224.73720   21
Found three species comparison        capv        st          pe       2.00000     2.00000     0.50000  -224.00380  -224.73720   22
Found three species comparison        capv        apbo        pe       2.00000     2.00000     0.50000  -221.96671  -224.73720   23
  Found two species comparison        capv        mgpv     2.00000     2.00000  -223.89802  -224.73720   24
  Found two species comparison        capv        mppv     2.00000     2.00000  -219.67678  -224.73720   25
 141 capvmgrist         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    3      -219.57862        20.00000      1473.00000
Found three species comparison        fo          capv        qtz      1.00000     2.00000     1.00000  -215.57741  -219.57862    1
Found three species comparison        fo          capv        coes     1.00000     2.00000     1.00000  -216.32334  -219.57862    2
Found three species comparison        fo          capv        st       1.00000     2.00000     1.00000  -218.85875  -219.57862    3
Found three species comparison        fo          capv        apbo     1.00000     2.00000     1.00000  -217.85528  -219.57862    4
Found three species comparison        mgwa        capv        qtz      1.00000     2.00000     1.00000  -216.22241  -219.57862    5
Found three species comparison        mgwa        capv        coes     1.00000     2.00000     1.00000  -216.96833  -219.57862    6
Found three species comparison        mgwa        capv        st       1.00000     2.00000     1.00000  -219.50375  -219.57862    7
Found three species comparison        mgwa        capv        apbo     1.00000     2.00000     1.00000  -218.50027  -219.57862    8
Found three species comparison        mgri        capv        qtz      1.00000     2.00000     1.00000  -216.29727  -219.57862    9
Found three species comparison        mgri        capv        coes     1.00000     2.00000     1.00000  -217.04320  -219.57862   10
Found three species comparison        mgri        capv        st       1.00000     2.00000     1.00000  -219.57862  -219.57862   11
Found three species comparison        mgri        capv        apbo     1.00000     2.00000     1.00000  -218.57514  -219.57862   12
  Found two species comparison        en          capv     1.00000     2.00000  -218.20264  -219.57862   13
  Found one species comparison        odi      2.00000  -214.89767  -219.57862   14
  Found one species comparison        di       2.00000  -217.80625  -219.57862   15
  Found two species comparison        cen         capv     1.00000     2.00000  -217.65253  -219.57862   16
  Found two species comparison        mgc2        capv     1.00000     2.00000  -218.64045  -219.57862   17
  Found two species comparison        capv        mgil     2.00000     2.00000  -219.56443  -219.57862   18
  Found two species comparison        capv        mgmj     2.00000     0.50000  -218.83851  -219.57862   19
Found three species comparison        capv        qtz         pe       2.00000     2.00000     0.50000  -212.39928  -219.57862   20
Found three species comparison        capv        coes        pe       2.00000     2.00000     0.50000  -213.89113  -219.57862   21
Found three species comparison        capv        st          pe       2.00000     2.00000     0.50000  -218.96196  -219.57862   22
Found three species comparison        capv        apbo        pe       2.00000     2.00000     0.50000  -216.95501  -219.57862   23
  Found two species comparison        capv        mgpv     2.00000     2.00000  -218.91240  -219.57862   24
  Found two species comparison        capv        mppv     2.00000     2.00000  -214.75992  -219.57862   25
 142 capvmgrist         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    3      -217.00654        20.50000      1473.00000
Found three species comparison        fo          capv        qtz      1.00000     2.00000     1.00000  -212.82581  -217.00654    1
Found three species comparison        fo          capv        coes     1.00000     2.00000     1.00000  -213.57994  -217.00654    2
Found three species comparison        fo          capv        st       1.00000     2.00000     1.00000  -216.22206  -217.00654    3
Found three species comparison        fo          capv        apbo     1.00000     2.00000     1.00000  -215.22606  -217.00654    4
Found three species comparison        mgwa        capv        qtz      1.00000     2.00000     1.00000  -213.51598  -217.00654    5
Found three species comparison        mgwa        capv        coes     1.00000     2.00000     1.00000  -214.27011  -217.00654    6
Found three species comparison        mgwa        capv        st       1.00000     2.00000     1.00000  -216.91223  -217.00654    7
Found three species comparison        mgwa        capv        apbo     1.00000     2.00000     1.00000  -215.91623  -217.00654    8
Found three species comparison        mgri        capv        qtz      1.00000     2.00000     1.00000  -213.61030  -217.00654    9
Found three species comparison        mgri        capv        coes     1.00000     2.00000     1.00000  -214.36442  -217.00654   10
Found three species comparison        mgri        capv        st       1.00000     2.00000     1.00000  -217.00654  -217.00654   11
Found three species comparison        mgri        capv        apbo     1.00000     2.00000     1.00000  -216.01055  -217.00654   12
  Found two species comparison        en          capv     1.00000     2.00000  -215.48714  -217.00654   13
  Found one species comparison        odi      2.00000  -211.85959  -217.00654   14
  Found one species comparison        di       2.00000  -214.84188  -217.00654   15
  Found two species comparison        cen         capv     1.00000     2.00000  -214.93271  -217.00654   16
  Found two species comparison        mgc2        capv     1.00000     2.00000  -215.94450  -217.00654   17
  Found two species comparison        capv        mgil     2.00000     2.00000  -217.00746  -217.00654   18
  Found two species comparison        capv        mgmj     2.00000     0.50000  -216.20490  -217.00654   19
Found three species comparison        capv        qtz         pe       2.00000     2.00000     0.50000  -209.65553  -217.00654   20
Found three species comparison        capv        coes        pe       2.00000     2.00000     0.50000  -211.16378  -217.00654   21
Found three species comparison        capv        st          pe       2.00000     2.00000     0.50000  -216.44803  -217.00654   22
Found three species comparison        capv        apbo        pe       2.00000     2.00000     0.50000  -214.45603  -217.00654   23
  Found two species comparison        capv        mgpv     2.00000     2.00000  -216.42615  -217.00654   24
  Found two species comparison        capv        mppv     2.00000     2.00000  -212.30776  -217.00654   25
 143 capvmgrist         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    3      -228.91856        20.00000      1673.00000
Found three species comparison        fo          capv        qtz      1.00000     2.00000     1.00000  -225.14687  -228.91856    1
Found three species comparison        fo          capv        coes     1.00000     2.00000     1.00000  -225.93098  -228.91856    2
Found three species comparison        fo          capv        st       1.00000     2.00000     1.00000  -228.30051  -228.91856    3
Found three species comparison        fo          capv        apbo     1.00000     2.00000     1.00000  -227.27565  -228.91856    4
Found three species comparison        mgwa        capv        qtz      1.00000     2.00000     1.00000  -225.73077  -228.91856    5
Found three species comparison        mgwa        capv        coes     1.00000     2.00000     1.00000  -226.51488  -228.91856    6
Found three species comparison        mgwa        capv        st       1.00000     2.00000     1.00000  -228.88441  -228.91856    7
Found three species comparison        mgwa        capv        apbo     1.00000     2.00000     1.00000  -227.85955  -228.91856    8
Found three species comparison        mgri        capv        qtz      1.00000     2.00000     1.00000  -225.76492  -228.91856    9
Found three species comparison        mgri        capv        coes     1.00000     2.00000     1.00000  -226.54903  -228.91856   10
Found three species comparison        mgri        capv        st       1.00000     2.00000     1.00000  -228.91856  -228.91856   11
Found three species comparison        mgri        capv        apbo     1.00000     2.00000     1.00000  -227.89369  -228.91856   12
  Found two species comparison        en          capv     1.00000     2.00000  -227.87109  -228.91856   13
  Found one species comparison        odi      2.00000  -224.95090  -228.91856   14
  Found one species comparison        di       2.00000  -227.46475  -228.91856   15
  Found two species comparison        cen         capv     1.00000     2.00000  -227.26513  -228.91856   16
  Found two species comparison        mgc2        capv     1.00000     2.00000  -228.20092  -228.91856   17
  Found two species comparison        capv        mgil     2.00000     2.00000  -228.91283  -228.91856   18
  Found two species comparison        capv        mgmj     2.00000     0.50000  -228.47507  -228.91856   19
Found three species comparison        capv        qtz         pe       2.00000     2.00000     0.50000  -221.94848  -228.91856   20
Found three species comparison        capv        coes        pe       2.00000     2.00000     0.50000  -223.51670  -228.91856   21
Found three species comparison        capv        st          pe       2.00000     2.00000     0.50000  -228.25576  -228.91856   22
Found three species comparison        capv        apbo        pe       2.00000     2.00000     0.50000  -226.20603  -228.91856   23
  Found two species comparison        capv        mgpv     2.00000     2.00000  -228.41239  -228.91856   24
  Found two species comparison        capv        mppv     2.00000     2.00000  -224.11282  -228.91856   25
 144 capvmgil           2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    2      -214.45508        21.00000      1473.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -210.08107  -214.45508    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -210.84293  -214.45508    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -213.59080  -214.45508    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -212.60224  -214.45508    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -210.81593  -214.45508    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -211.57779  -214.45508    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -214.32566  -214.45508    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -213.33711  -214.45508    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -210.92949  -214.45508    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -211.69135  -214.45508   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -214.43922  -214.45508   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -213.45067  -214.45508   12
  Found two species comparison        en          capv     0.50000     1.00000  -212.77732  -214.45508   13
  Found one species comparison        odi      1.00000  -208.82863  -214.45508   14
  Found one species comparison        di       1.00000  -211.88536  -214.45508   15
  Found two species comparison        cen         capv     0.50000     1.00000  -212.21900  -214.45508   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -213.25427  -214.45508   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -214.45508  -214.45508   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -213.57655  -214.45508   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -206.91922  -214.45508   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -208.44294  -214.45508   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -213.93869  -214.45508   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -211.96158  -214.45508   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -213.94423  -214.45508   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -209.85975  -214.45508   25
 145 capvmgil           2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    2      -226.34294        20.50000      1673.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -222.38156  -226.34294    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -223.17507  -226.34294    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -225.65034  -226.34294    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -224.63303  -226.34294    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -223.01033  -226.34294    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -223.80384  -226.34294    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -226.27911  -226.34294    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -225.26180  -226.34294    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -223.06455  -226.34294    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -223.85807  -226.34294   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -226.33333  -226.34294   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -225.31603  -226.34294   12
  Found two species comparison        en          capv     0.50000     1.00000  -225.14433  -226.34294   13
  Found one species comparison        odi      1.00000  -221.90676  -226.34294   14
  Found one species comparison        di       1.00000  -224.48781  -226.34294   15
  Found two species comparison        cen         capv     0.50000     1.00000  -224.53078  -226.34294   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -225.49010  -226.34294   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -226.34294  -226.34294   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -225.82850  -226.34294   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -219.18980  -226.34294   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -220.77683  -226.34294   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -225.72736  -226.34294   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -223.69275  -226.34294   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -225.91173  -226.34294   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -221.64601  -226.34294   25
 146 capvmgil           2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    2      -228.67806        21.00000      1773.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -224.63318  -228.67806    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -225.45478  -228.67806    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -227.95237  -228.67806    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -226.93187  -228.67806    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -225.27627  -228.67806    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -226.09787  -228.67806    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -228.59546  -228.67806    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -227.57496  -228.67806    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -225.32996  -228.67806    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -226.15157  -228.67806   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -228.64915  -228.67806   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -227.62866  -228.67806   12
  Found two species comparison        en          capv     0.50000     1.00000  -227.48321  -228.67806   13
  Found one species comparison        odi      1.00000  -224.11814  -228.67806   14
  Found one species comparison        di       1.00000  -226.56830  -228.67806   15
  Found two species comparison        cen         capv     0.50000     1.00000  -226.83414  -228.67806   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -227.79106  -228.67806   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -228.67806  -228.67806   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -228.23129  -228.67806   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -221.43946  -228.67806   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -223.08268  -228.67806   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -228.07784  -228.67806   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -226.03685  -228.67806   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -228.39395  -228.67806   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -224.08929  -228.67806   25
 147 capvmgil           2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    2      -233.72684        21.00000      1873.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -229.79142  -233.72684    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -230.63146  -233.72684    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -233.04761  -233.72684    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -232.01634  -233.72684    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -230.40500  -233.72684    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -231.24504  -233.72684    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -233.66119  -233.72684    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -232.62992  -233.72684    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -230.43785  -233.72684    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -231.27789  -233.72684   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -233.69405  -233.72684   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -232.66278  -233.72684   12
  Found two species comparison        en          capv     0.50000     1.00000  -232.68994  -233.72684   13
  Found one species comparison        odi      1.00000  -229.50698  -233.72684   14
  Found one species comparison        di       1.00000  -231.76179  -233.72684   15
  Found two species comparison        cen         capv     0.50000     1.00000  -232.01442  -233.72684   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -232.94639  -233.72684   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -233.72684  -233.72684   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -233.42343  -233.72684   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -226.58997  -233.72684   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -228.27006  -233.72684   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -233.10237  -233.72684   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -231.03983  -233.72684   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -233.52341  -233.72684   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -229.14706  -233.72684   25
 148 capvmgil           2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    2      -226.02036        22.50000      1873.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -221.51671  -226.02036    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -222.38427  -226.02036    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -225.10623  -226.02036    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -224.09754  -226.02036    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -222.25961  -226.02036    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -223.12717  -226.02036    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -225.84913  -226.02036    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -224.84044  -226.02036    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -222.35275  -226.02036    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -223.22031  -226.02036   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -225.94227  -226.02036   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -224.93358  -226.02036   12
  Found two species comparison        en          capv     0.50000     1.00000  -224.52771  -226.02036   13
  Found one species comparison        odi      1.00000  -220.42142  -226.02036   14
  Found one species comparison        di       1.00000  -222.86481  -226.02036   15
  Found two species comparison        cen         capv     0.50000     1.00000  -223.82350  -226.02036   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -224.82159  -226.02036   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -226.02036  -226.02036   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -225.49276  -226.02036   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -218.33668  -226.02036   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -220.07180  -226.02036   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -225.51572  -226.02036   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -223.49834  -226.02036   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -226.01765  -226.02036   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -221.74030  -226.02036   25
 149 capvmgil           2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    2      -239.07306        22.00000      2073.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -234.97340  -239.07306    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -235.86934  -239.07306    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -238.32863  -239.07306    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -237.29091  -239.07306    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -235.61566  -239.07306    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -236.51161  -239.07306    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -238.97089  -239.07306    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -237.93318  -239.07306    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -235.64719  -239.07306    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -236.54313  -239.07306   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -239.00242  -239.07306   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -237.96470  -239.07306   12
  Found two species comparison        en          capv     0.50000     1.00000  -238.04585  -239.07306   13
  Found one species comparison        odi      1.00000  -234.60177  -239.07306   14
  Found one species comparison        di       1.00000  -236.58824  -239.07306   15
  Found two species comparison        cen         capv     0.50000     1.00000  -237.29702  -239.07306   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -238.22466  -239.07306   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -239.07306  -239.07306   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -238.90514  -239.07306   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -231.77207  -239.07306   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -233.56396  -239.07306   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -238.48254  -239.07306   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -236.40710  -239.07306   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -239.16967  -239.07306   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -234.71844  -239.07306   25
 150 capvmgpv           2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    2      -223.52462        23.00000      1873.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -218.77224  -223.52462    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -219.64806  -223.52462    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -222.47015  -223.52462    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -221.46891  -223.52462    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -219.55733  -223.52462    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -220.43315  -223.52462    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -223.25524  -223.52462    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -222.25400  -223.52462    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -219.67015  -223.52462    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -220.54597  -223.52462   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -223.36806  -223.52462   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -222.36682  -223.52462   12
  Found two species comparison        en          capv     0.50000     1.00000  -221.81839  -223.52462   13
  Found one species comparison        odi      1.00000  -217.40695  -223.52462   14
  Found one species comparison        di       1.00000  -219.91474  -223.52462   15
  Found two species comparison        cen         capv     0.50000     1.00000  -221.10552  -223.52462   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -222.12491  -223.52462   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -223.46094  -223.52462   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -222.85988  -223.52462   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -215.60048  -223.52462   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -217.35211  -223.52462   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -222.99630  -223.52462   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -220.99382  -223.52462   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -223.52462  -223.52462   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -219.27994  -223.52462   25
 151 capvmgpv           2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    2      -237.66178        22.30000      2073.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -233.31342  -237.66178    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -234.21537  -237.66178    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -236.73475  -237.66178    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -235.70158  -237.66178    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -233.98110  -237.66178    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -234.88305  -237.66178    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -237.40243  -237.66178    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -236.36926  -237.66178    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -234.02498  -237.66178    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -234.92692  -237.66178   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -237.44631  -237.66178   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -236.41314  -237.66178   12
  Found two species comparison        en          capv     0.50000     1.00000  -236.40932  -237.66178   13
  Found one species comparison        odi      1.00000  -232.78457  -237.66178   14
  Found one species comparison        di       1.00000  -234.80514  -237.66178   15
  Found two species comparison        cen         capv     0.50000     1.00000  -235.65298  -237.66178   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -236.59343  -237.66178   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -237.52608  -237.66178   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -237.31365  -237.66178   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -230.11588  -237.66178   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -231.91977  -237.66178   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -236.95854  -237.66178   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -234.89220  -237.66178   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -237.66178  -237.66178   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -233.23001  -237.66178   25
 152 capvmgpv           2.00   1.00   0.00   1.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    2      -237.66178        22.30000      2073.00000
Found three species comparison        fo          capv        qtz      0.50000     1.00000     0.50000  -233.31342  -237.66178    1
Found three species comparison        fo          capv        coes     0.50000     1.00000     0.50000  -234.21537  -237.66178    2
Found three species comparison        fo          capv        st       0.50000     1.00000     0.50000  -236.73475  -237.66178    3
Found three species comparison        fo          capv        apbo     0.50000     1.00000     0.50000  -235.70158  -237.66178    4
Found three species comparison        mgwa        capv        qtz      0.50000     1.00000     0.50000  -233.98110  -237.66178    5
Found three species comparison        mgwa        capv        coes     0.50000     1.00000     0.50000  -234.88305  -237.66178    6
Found three species comparison        mgwa        capv        st       0.50000     1.00000     0.50000  -237.40243  -237.66178    7
Found three species comparison        mgwa        capv        apbo     0.50000     1.00000     0.50000  -236.36926  -237.66178    8
Found three species comparison        mgri        capv        qtz      0.50000     1.00000     0.50000  -234.02498  -237.66178    9
Found three species comparison        mgri        capv        coes     0.50000     1.00000     0.50000  -234.92692  -237.66178   10
Found three species comparison        mgri        capv        st       0.50000     1.00000     0.50000  -237.44631  -237.66178   11
Found three species comparison        mgri        capv        apbo     0.50000     1.00000     0.50000  -236.41314  -237.66178   12
  Found two species comparison        en          capv     0.50000     1.00000  -236.40932  -237.66178   13
  Found one species comparison        odi      1.00000  -232.78457  -237.66178   14
  Found one species comparison        di       1.00000  -234.80514  -237.66178   15
  Found two species comparison        cen         capv     0.50000     1.00000  -235.65298  -237.66178   16
  Found two species comparison        mgc2        capv     0.50000     1.00000  -236.59343  -237.66178   17
  Found two species comparison        capv        mgil     1.00000     1.00000  -237.52608  -237.66178   18
  Found two species comparison        capv        mgmj     1.00000     0.25000  -237.31365  -237.66178   19
Found three species comparison        capv        qtz         pe       1.00000     1.00000     0.25000  -230.11588  -237.66178   20
Found three species comparison        capv        coes        pe       1.00000     1.00000     0.25000  -231.91977  -237.66178   21
Found three species comparison        capv        st          pe       1.00000     1.00000     0.25000  -236.95854  -237.66178   22
Found three species comparison        capv        apbo        pe       1.00000     1.00000     0.25000  -234.89220  -237.66178   23
  Found two species comparison        capv        mgpv     1.00000     1.00000  -237.66178  -237.66178   24
  Found two species comparison        capv        mppv     1.00000     1.00000  -233.23001  -237.66178   25
 153 capvco             3.00   0.00   0.00   3.00   2.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2      -218.54910        24.27000      1673.00000
  Found two species comparison        cats        capv     1.00000     2.00000  -214.90604  -218.54910    1
  Found two species comparison        capv        co       3.00000     1.00000  -218.54910  -218.54910    2
  Found two species comparison        capv        alpv     3.00000     1.00000  -216.60845  -218.54910    3
  Found two species comparison        capv        appv     3.00000     1.00000  -210.08055  -218.54910    4
  Found one species comparison        gr       1.00000  -217.40854  -218.54910    5
 154 capvco             3.00   0.00   0.00   3.00   2.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2      -218.89852        26.16000      1873.00000
  Found two species comparison        cats        capv     1.00000     2.00000  -214.96808  -218.89852    1
  Found two species comparison        capv        co       3.00000     1.00000  -218.89852  -218.89852    2
  Found two species comparison        capv        alpv     3.00000     1.00000  -217.09448  -218.89852    3
  Found two species comparison        capv        appv     3.00000     1.00000  -210.85723  -218.89852    4
  Found one species comparison        gr       1.00000  -216.72760  -218.89852    5
 155 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1        89.64615       101.00000      2250.00000
  Found one species comparison        qtz      1.00000   167.21845    89.64615    1
  Found one species comparison        coes     1.00000   161.08370    89.64615    2
  Found one species comparison        st       1.00000    89.64615    89.64615    3
  Found one species comparison        apbo     1.00000    90.70030    89.64615    4
 156 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1        95.43489       104.00000      2375.00000
  Found one species comparison        qtz      1.00000   173.62616    95.43489    1
  Found one species comparison        coes     1.00000   166.49673    95.43489    2
  Found one species comparison        st       1.00000    95.43489    95.43489    3
  Found one species comparison        apbo     1.00000    96.38086    95.43489    4
 157 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1       141.91817       113.00000      2100.00000
  Found one species comparison        qtz      1.00000   225.94030   141.91817    1
  Found one species comparison        coes     1.00000   217.30465   141.91817    2
  Found one species comparison        st       1.00000   141.91817   141.91817    3
  Found one species comparison        apbo     1.00000   142.20078   141.91817    4
 158 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1       146.64069       116.00000      2250.00000
  Found one species comparison        qtz      1.00000   231.05475   146.64069    1
  Found one species comparison        coes     1.00000   221.06887   146.64069    2
  Found one species comparison        st       1.00000   146.64069   146.64069    3
  Found one species comparison        apbo     1.00000   146.83687   146.64069    4
 159 apbo               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1       179.31407       124.00000      2180.00000
  Found one species comparison        qtz      1.00000   268.09808   179.31407    1
  Found one species comparison        coes     1.00000   255.51407   179.31407    2
  Found one species comparison        st       1.00000   179.59019   179.31407    3
  Found one species comparison        apbo     1.00000   179.31407   179.31407    4
 160 apbo               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1       183.31731       128.00000      2420.00000
  Found one species comparison        qtz      1.00000   272.31034   183.31731    1
  Found one species comparison        coes     1.00000   257.46845   183.31731    2
  Found one species comparison        st       1.00000   183.67858   183.31731    3
  Found one species comparison        apbo     1.00000   183.31731   183.31731    4
 161 apbo               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1       246.60594       141.00000      2040.00000
  Found one species comparison        qtz      1.00000   345.04136   246.60594    1
  Found one species comparison        coes     1.00000   325.19917   246.60594    2
  Found one species comparison        st       1.00000   247.83387   246.60594    3
  Found one species comparison        apbo     1.00000   246.60594   246.60594    4
 162 apbo               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1       280.06933       151.00000      2090.00000
  Found one species comparison        qtz      1.00000   383.08820   280.06933    1
  Found one species comparison        coes     1.00000   357.51185   280.06933    2
  Found one species comparison        st       1.00000   281.76219   280.06933    3
  Found one species comparison        apbo     1.00000   280.06933   280.06933    4
 163 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1       158.79183       106.00000       800.00000
  Found one species comparison        qtz      1.00000   247.48361   158.79183    1
  Found one species comparison        coes     1.00000   244.60992   158.79183    2
  Found one species comparison        st       1.00000   158.79183   158.79183    3
  Found one species comparison        apbo     1.00000   158.79211   158.79183    4
 164 apbo               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1       158.79211       106.00000       800.00000
  Found one species comparison        qtz      1.00000   247.48361   158.79211    1
  Found one species comparison        coes     1.00000   244.60992   158.79211    2
  Found one species comparison        st       1.00000   158.79183   158.79211    3
  Found one species comparison        apbo     1.00000   158.79211   158.79211    4
 165 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1       151.68943       127.00000      3000.00000
  Found one species comparison        qtz      1.00000   235.86540   151.68943    1
  Found one species comparison        coes     1.00000   219.81729   151.68943    2
  Found one species comparison        st       1.00000   151.68943   151.68943    3
  Found one species comparison        apbo     1.00000   151.68914   151.68943    4
 166 apbo               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1       151.68914       127.00000      3000.00000
  Found one species comparison        qtz      1.00000   235.86540   151.68914    1
  Found one species comparison        coes     1.00000   219.81729   151.68914    2
  Found one species comparison        st       1.00000   151.68943   151.68914    3
  Found one species comparison        apbo     1.00000   151.68914   151.68914    4
 167 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       150.93865       122.90000      2800.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   213.65099   150.93865    1
  Found two species comparison        fo          coes     0.50000     0.50000   209.47714   150.93865    2
  Found two species comparison        fo          st       0.50000     0.50000   188.51280   150.93865    3
  Found two species comparison        fo          apbo     0.50000     0.50000   188.54674   150.93865    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   204.38238   150.93865    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   200.20853   150.93865    6
  Found two species comparison        mgwa        st       0.50000     0.50000   179.24418   150.93865    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   179.27813   150.93865    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   200.14178   150.93865    9
  Found two species comparison        mgri        coes     0.50000     0.50000   195.96794   150.93865   10
  Found two species comparison        mgri        st       0.50000     0.50000   175.00359   150.93865   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   175.03754   150.93865   12
  Found one species comparison        en       0.50000   216.49089   150.93865   13
  Found one species comparison        cen      0.50000   213.30142   150.93865   14
  Found one species comparison        mgc2     0.50000   213.52633   150.93865   15
  Found one species comparison        mgil     1.00000   174.13395   150.93865   16
  Found one species comparison        mgmj     0.25000   186.78439   150.93865   17
  Found two species comparison        qtz         pe       1.00000     0.25000   209.10813   150.93865   18
  Found two species comparison        coes        pe       1.00000     0.25000   200.76044   150.93865   19
  Found two species comparison        st          pe       1.00000     0.25000   158.83174   150.93865   20
  Found two species comparison        apbo        pe       1.00000     0.25000   158.89963   150.93865   21
  Found one species comparison        mgpv     1.00000   150.93865   150.93865   22
  Found one species comparison        mppv     1.00000   151.01849   150.93865   23
 168 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       120.10214       129.10000      3750.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   181.66070   120.10214    1
  Found two species comparison        fo          coes     0.50000     0.50000   175.96645   120.10214    2
  Found two species comparison        fo          st       0.50000     0.50000   157.68668   120.10214    3
  Found two species comparison        fo          apbo     0.50000     0.50000   157.77258   120.10214    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   173.26740   120.10214    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   167.57316   120.10214    6
  Found two species comparison        mgwa        st       0.50000     0.50000   149.29338   120.10214    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   149.37929   120.10214    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   168.71374   120.10214    9
  Found two species comparison        mgri        coes     0.50000     0.50000   163.01950   120.10214   10
  Found two species comparison        mgri        st       0.50000     0.50000   144.73972   120.10214   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   144.82562   120.10214   12
  Found one species comparison        en       0.50000   182.26602   120.10214   13
  Found one species comparison        cen      0.50000   183.27603   120.10214   14
  Found one species comparison        mgc2     0.50000   184.72569   120.10214   15
  Found one species comparison        mgil     1.00000   143.70924   120.10214   16
  Found one species comparison        mgmj     0.25000   154.06165   120.10214   17
  Found two species comparison        qtz         pe       1.00000     0.25000   177.57712   120.10214   18
  Found two species comparison        coes        pe       1.00000     0.25000   166.18863   120.10214   19
  Found two species comparison        st          pe       1.00000     0.25000   129.62907   120.10214   20
  Found two species comparison        apbo        pe       1.00000     0.25000   129.80088   120.10214   21
  Found one species comparison        mgpv     1.00000   120.10214   120.10214   22
  Found one species comparison        mppv     1.00000   121.07737   120.10214   23
 169 mppv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       163.45156       139.40000      3680.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   228.67399   163.45156    1
  Found two species comparison        fo          coes     0.50000     0.50000   221.62929   163.45156    2
  Found two species comparison        fo          st       0.50000     0.50000   203.33760   163.45156    3
  Found two species comparison        fo          apbo     0.50000     0.50000   203.25143   163.45156    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   219.81866   163.45156    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   212.77395   163.45156    6
  Found two species comparison        mgwa        st       0.50000     0.50000   194.48227   163.45156    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   194.39610   163.45156    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   215.07090   163.45156    9
  Found two species comparison        mgri        coes     0.50000     0.50000   208.02620   163.45156   10
  Found two species comparison        mgri        st       0.50000     0.50000   189.73452   163.45156   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   189.64835   163.45156   12
  Found one species comparison        en       0.50000   231.66614   163.45156   13
  Found one species comparison        cen      0.50000   230.97187   163.45156   14
  Found one species comparison        mgc2     0.50000   233.34824   163.45156   15
  Found one species comparison        mgil     1.00000   189.21667   163.45156   16
  Found one species comparison        mgmj     0.25000   200.05440   163.45156   17
  Found two species comparison        qtz         pe       1.00000     0.25000   223.64173   163.45156   18
  Found two species comparison        coes        pe       1.00000     0.25000   209.55232   163.45156   19
  Found two species comparison        st          pe       1.00000     0.25000   172.96896   163.45156   20
  Found two species comparison        apbo        pe       1.00000     0.25000   172.79661   163.45156   21
  Found one species comparison        mgpv     1.00000   163.44235   163.45156   22
  Found one species comparison        mppv     1.00000   163.45156   163.45156   23
 170 mppv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       163.76316       144.00000      3960.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   229.34789   163.76316    1
  Found two species comparison        fo          coes     0.50000     0.50000   221.36172   163.76316    2
  Found two species comparison        fo          st       0.50000     0.50000   204.08074   163.76316    3
  Found two species comparison        fo          apbo     0.50000     0.50000   203.96871   163.76316    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   220.68798   163.76316    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   212.70182   163.76316    6
  Found two species comparison        mgwa        st       0.50000     0.50000   195.42083   163.76316    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   195.30880   163.76316    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   215.78658   163.76316    9
  Found two species comparison        mgri        coes     0.50000     0.50000   207.80042   163.76316   10
  Found two species comparison        mgri        st       0.50000     0.50000   190.51944   163.76316   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   190.40740   163.76316   12
  Found one species comparison        en       0.50000   232.21251   163.76316   13
  Found one species comparison        cen      0.50000   232.52418   163.76316   14
  Found one species comparison        mgc2     0.50000   235.56731   163.76316   15
  Found one species comparison        mgil     1.00000   190.10796   163.76316   16
  Found one species comparison        mgmj     0.25000   200.29875   163.76316   17
  Found two species comparison        qtz         pe       1.00000     0.25000   224.25872   163.76316   18
  Found two species comparison        coes        pe       1.00000     0.25000   208.28639   163.76316   19
  Found two species comparison        st          pe       1.00000     0.25000   173.72442   163.76316   20
  Found two species comparison        apbo        pe       1.00000     0.25000   173.50036   163.76316   21
  Found one species comparison        mgpv     1.00000   163.72127   163.76316   22
  Found one species comparison        mppv     1.00000   163.76316   163.76316   23
 171 mppv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       252.36312       136.10000      1640.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   327.49752   252.36312    1
  Found two species comparison        fo          coes     0.50000     0.50000   322.60807   252.36312    2
  Found two species comparison        fo          st       0.50000     0.50000   298.12300   252.36312    3
  Found two species comparison        fo          apbo     0.50000     0.50000   297.76641   252.36312    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   316.18653   252.36312    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   311.29707   252.36312    6
  Found two species comparison        mgwa        st       0.50000     0.50000   286.81200   252.36312    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   286.45541   252.36312    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   312.00448   252.36312    9
  Found two species comparison        mgri        coes     0.50000     0.50000   307.11503   252.36312   10
  Found two species comparison        mgri        st       0.50000     0.50000   282.62995   252.36312   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   282.27337   252.36312   12
  Found one species comparison        en       0.50000   337.68002   252.36312   13
  Found one species comparison        cen      0.50000   325.70324   252.36312   14
  Found one species comparison        mgc2     0.50000   326.21044   252.36312   15
  Found one species comparison        mgil     1.00000   282.91808   252.36312   16
  Found one species comparison        mgmj     0.25000   299.06599   252.36312   17
  Found two species comparison        qtz         pe       1.00000     0.25000   320.35722   252.36312   18
  Found two species comparison        coes        pe       1.00000     0.25000   310.57832   252.36312   19
  Found two species comparison        st          pe       1.00000     0.25000   261.60817   252.36312   20
  Found two species comparison        apbo        pe       1.00000     0.25000   260.89500   252.36312   21
  Found one species comparison        mgpv     1.00000   255.06272   252.36312   22
  Found one species comparison        mppv     1.00000   252.36312   252.36312   23
 172 mppv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       249.22402       146.40000      2560.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   323.72239   249.22402    1
  Found two species comparison        fo          coes     0.50000     0.50000   316.47229   249.22402    2
  Found two species comparison        fo          st       0.50000     0.50000   295.02240   249.22402    3
  Found two species comparison        fo          apbo     0.50000     0.50000   294.65496   249.22402    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   313.17158   249.22402    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   305.92147   249.22402    6
  Found two species comparison        mgwa        st       0.50000     0.50000   284.47159   249.22402    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   284.10415   249.22402    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   308.60507   249.22402    9
  Found two species comparison        mgri        coes     0.50000     0.50000   301.35497   249.22402   10
  Found two species comparison        mgri        st       0.50000     0.50000   279.90508   249.22402   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   279.53764   249.22402   12
  Found one species comparison        en       0.50000   332.70319   249.22402   13
  Found one species comparison        cen      0.50000   324.25389   249.22402   14
  Found one species comparison        mgc2     0.50000   326.48978   249.22402   15
  Found one species comparison        mgil     1.00000   280.30716   249.22402   16
  Found one species comparison        mgmj     0.25000   294.22278   249.22402   17
  Found two species comparison        qtz         pe       1.00000     0.25000   316.82296   249.22402   18
  Found two species comparison        coes        pe       1.00000     0.25000   302.32276   249.22402   19
  Found two species comparison        st          pe       1.00000     0.25000   259.42299   249.22402   20
  Found two species comparison        apbo        pe       1.00000     0.25000   258.68811   249.22402   21
  Found one species comparison        mgpv     1.00000   251.43831   249.22402   22
  Found one species comparison        mppv     1.00000   249.22402   249.22402   23
 173 mppv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       211.41781       145.10000      3200.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   281.65849   211.41781    1
  Found two species comparison        fo          coes     0.50000     0.50000   274.10737   211.41781    2
  Found two species comparison        fo          st       0.50000     0.50000   254.57513   211.41781    3
  Found two species comparison        fo          apbo     0.50000     0.50000   254.32731   211.41781    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   271.99069   211.41781    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   264.43956   211.41781    6
  Found two species comparison        mgwa        st       0.50000     0.50000   244.90732   211.41781    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   244.65950   211.41781    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   267.26563   211.41781    9
  Found two species comparison        mgri        coes     0.50000     0.50000   259.71450   211.41781   10
  Found two species comparison        mgri        st       0.50000     0.50000   240.18226   211.41781   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   239.93444   211.41781   12
  Found one species comparison        en       0.50000   287.77837   211.41781   13
  Found one species comparison        cen      0.50000   283.43115   211.41781   14
  Found one species comparison        mgc2     0.50000   286.02497   211.41781   15
  Found one species comparison        mgil     1.00000   240.19495   211.41781   16
  Found one species comparison        mgmj     0.25000   252.40876   211.41781   17
  Found two species comparison        qtz         pe       1.00000     0.25000   275.62302   211.41781   18
  Found two species comparison        coes        pe       1.00000     0.25000   260.52077   211.41781   19
  Found two species comparison        st          pe       1.00000     0.25000   221.45629   211.41781   20
  Found two species comparison        apbo        pe       1.00000     0.25000   220.96066   211.41781   21
  Found one species comparison        mgpv     1.00000   212.59040   211.41781   22
  Found one species comparison        mppv     1.00000   211.41781   211.41781   23
 174 mppv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       286.02967       158.50000      2690.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   364.97586   286.02967    1
  Found two species comparison        fo          coes     0.50000     0.50000   355.38888   286.02967    2
  Found two species comparison        fo          st       0.50000     0.50000   335.01696   286.02967    3
  Found two species comparison        fo          apbo     0.50000     0.50000   334.49481   286.02967    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   354.15487   286.02967    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   344.56789   286.02967    6
  Found two species comparison        mgwa        st       0.50000     0.50000   324.19597   286.02967    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   323.67382   286.02967    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   349.40333   286.02967    9
  Found two species comparison        mgri        coes     0.50000     0.50000   339.81635   286.02967   10
  Found two species comparison        mgri        st       0.50000     0.50000   319.44443   286.02967   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   318.92228   286.02967   12
  Found one species comparison        en       0.50000   376.29592   286.02967   13
  Found one species comparison        cen      0.50000   366.41625   286.02967   14
  Found one species comparison        mgc2     0.50000   370.04468   286.02967   15
  Found one species comparison        mgil     1.00000   320.51976   286.02967   16
  Found one species comparison        mgmj     0.25000   334.16904   286.02967   17
  Found two species comparison        qtz         pe       1.00000     0.25000   357.29572   286.02967   18
  Found two species comparison        coes        pe       1.00000     0.25000   338.12177   286.02967   19
  Found two species comparison        st          pe       1.00000     0.25000   297.37794   286.02967   20
  Found two species comparison        apbo        pe       1.00000     0.25000   296.33363   286.02967   21
  Found one species comparison        mgpv     1.00000   289.04173   286.02967   22
  Found one species comparison        mppv     1.00000   286.02967   286.02967   23
 175 mppv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       245.91951       169.10000      4100.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   320.42748   245.91951    1
  Found two species comparison        fo          coes     0.50000     0.50000   307.39161   245.91951    2
  Found two species comparison        fo          st       0.50000     0.50000   292.58763   245.91951    3
  Found two species comparison        fo          apbo     0.50000     0.50000   292.13550   245.91951    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   311.21916   245.91951    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   298.18329   245.91951    6
  Found two species comparison        mgwa        st       0.50000     0.50000   283.37931   245.91951    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   282.92718   245.91951    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   305.87422   245.91951    9
  Found two species comparison        mgri        coes     0.50000     0.50000   292.83835   245.91951   10
  Found two species comparison        mgri        st       0.50000     0.50000   278.03437   245.91951   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   277.58224   245.91951   12
  Found one species comparison        en       0.50000   328.22156   245.91951   13
  Found one species comparison        cen      0.50000   325.84033   245.91951   14
  Found one species comparison        mgc2     0.50000   331.78485   245.91951   15
  Found one species comparison        mgil     1.00000   279.08114   245.91951   16
  Found one species comparison        mgmj     0.25000   289.01877   245.91951   17
  Found two species comparison        qtz         pe       1.00000     0.25000   313.73676   245.91951   18
  Found two species comparison        coes        pe       1.00000     0.25000   287.66502   245.91951   19
  Found two species comparison        st          pe       1.00000     0.25000   258.05706   245.91951   20
  Found two species comparison        apbo        pe       1.00000     0.25000   257.15281   245.91951   21
  Found one species comparison        mgpv     1.00000   247.75214   245.91951   22
  Found one species comparison        mppv     1.00000   245.91951   245.91951   23
 176 mppv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       235.63608       171.00000      4380.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   309.14205   235.63608    1
  Found two species comparison        fo          coes     0.50000     0.50000   295.41964   235.63608    2
  Found two species comparison        fo          st       0.50000     0.50000   281.76651   235.63608    3
  Found two species comparison        fo          apbo     0.50000     0.50000   281.33133   235.63608    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   300.27118   235.63608    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   286.54877   235.63608    6
  Found two species comparison        mgwa        st       0.50000     0.50000   272.89564   235.63608    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   272.46046   235.63608    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   294.80694   235.63608    9
  Found two species comparison        mgri        coes     0.50000     0.50000   281.08453   235.63608   10
  Found two species comparison        mgri        st       0.50000     0.50000   267.43140   235.63608   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   266.99622   235.63608   12
  Found one species comparison        en       0.50000   316.15098   235.63608   13
  Found one species comparison        cen      0.50000   315.36302   235.63608   14
  Found one species comparison        mgc2     0.50000   321.74811   235.63608   15
  Found one species comparison        mgil     1.00000   268.46346   235.63608   16
  Found one species comparison        mgmj     0.25000   277.65808   235.63608   17
  Found two species comparison        qtz         pe       1.00000     0.25000   302.66496   235.63608   18
  Found two species comparison        coes        pe       1.00000     0.25000   275.22014   235.63608   19
  Found two species comparison        st          pe       1.00000     0.25000   247.91388   235.63608   20
  Found two species comparison        apbo        pe       1.00000     0.25000   247.04352   235.63608   21
  Found one species comparison        mgpv     1.00000   237.21574   235.63608   22
  Found one species comparison        mppv     1.00000   235.63608   235.63608   23
 177 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       168.62086       149.30000      4200.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   234.93928   168.62086    1
  Found two species comparison        fo          coes     0.50000     0.50000   225.86947   168.62086    2
  Found two species comparison        fo          st       0.50000     0.50000   209.59517   168.62086    3
  Found two species comparison        fo          apbo     0.50000     0.50000   209.44149   168.62086    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   226.41855   168.62086    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   217.34874   168.62086    6
  Found two species comparison        mgwa        st       0.50000     0.50000   201.07444   168.62086    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   200.92076   168.62086    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   221.35844   168.62086    9
  Found two species comparison        mgri        coes     0.50000     0.50000   212.28862   168.62086   10
  Found two species comparison        mgri        st       0.50000     0.50000   196.01432   168.62086   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   195.86065   168.62086   12
  Found one species comparison        en       0.50000   237.96478   168.62086   13
  Found one species comparison        cen      0.50000   239.00919   168.62086   14
  Found one species comparison        mgc2     0.50000   242.78180   168.62086   15
  Found one species comparison        mgil     1.00000   195.77735   168.62086   16
  Found one species comparison        mgmj     0.25000   205.41577   168.62086   17
  Found two species comparison        qtz         pe       1.00000     0.25000   229.71494   168.62086   18
  Found two species comparison        coes        pe       1.00000     0.25000   211.57531   168.62086   19
  Found two species comparison        st          pe       1.00000     0.25000   179.02671   168.62086   20
  Found two species comparison        apbo        pe       1.00000     0.25000   178.71936   168.62086   21
  Found one species comparison        mgpv     1.00000   168.62086   168.62086   22
  Found one species comparison        mppv     1.00000   168.57772   168.62086   23
 178 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       134.27486       131.70000      3680.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   196.95164   134.27486    1
  Found two species comparison        fo          coes     0.50000     0.50000   190.98473   134.27486    2
  Found two species comparison        fo          st       0.50000     0.50000   172.52745   134.27486    3
  Found two species comparison        fo          apbo     0.50000     0.50000   172.56096   134.27486    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   188.37621   134.27486    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   182.40930   134.27486    6
  Found two species comparison        mgwa        st       0.50000     0.50000   163.95201   134.27486    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   163.98553   134.27486    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   183.78102   134.27486    9
  Found two species comparison        mgri        coes     0.50000     0.50000   177.81412   134.27486   10
  Found two species comparison        mgri        st       0.50000     0.50000   159.35683   134.27486   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   159.39034   134.27486   12
  Found one species comparison        en       0.50000   198.34533   134.27486   13
  Found one species comparison        cen      0.50000   198.65856   134.27486   14
  Found one species comparison        mgc2     0.50000   200.29713   134.27486   15
  Found one species comparison        mgil     1.00000   158.47164   134.27486   16
  Found one species comparison        mgmj     0.25000   169.09854   134.27486   17
  Found two species comparison        qtz         pe       1.00000     0.25000   192.56619   134.27486   18
  Found two species comparison        coes        pe       1.00000     0.25000   180.63237   134.27486   19
  Found two species comparison        st          pe       1.00000     0.25000   143.71780   134.27486   20
  Found two species comparison        apbo        pe       1.00000     0.25000   143.78483   134.27486   21
  Found one species comparison        mgpv     1.00000   134.27486   134.27486   22
  Found one species comparison        mppv     1.00000   134.92734   134.27486   23
 179 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       150.68363       119.00000      2520.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   212.90558   150.68363    1
  Found two species comparison        fo          coes     0.50000     0.50000   209.38314   150.68363    2
  Found two species comparison        fo          st       0.50000     0.50000   187.71419   150.68363    3
  Found two species comparison        fo          apbo     0.50000     0.50000   187.76690   150.68363    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   203.48631   150.68363    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   199.96387   150.68363    6
  Found two species comparison        mgwa        st       0.50000     0.50000   178.29492   150.68363    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   178.34763   150.68363    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   199.37597   150.68363    9
  Found two species comparison        mgri        coes     0.50000     0.50000   195.85353   150.68363   10
  Found two species comparison        mgri        st       0.50000     0.50000   174.18459   150.68363   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   174.23729   150.68363   12
  Found one species comparison        en       0.50000   215.94394   150.68363   13
  Found one species comparison        cen      0.50000   211.88335   150.68363   14
  Found one species comparison        mgc2     0.50000   211.58343   150.68363   15
  Found one species comparison        mgil     1.00000   173.28413   150.68363   16
  Found one species comparison        mgmj     0.25000   186.51163   150.68363   17
  Found two species comparison        qtz         pe       1.00000     0.25000   208.43311   150.68363   18
  Found two species comparison        coes        pe       1.00000     0.25000   201.38823   150.68363   19
  Found two species comparison        st          pe       1.00000     0.25000   158.05034   150.68363   20
  Found two species comparison        apbo        pe       1.00000     0.25000   158.15574   150.68363   21
  Found one species comparison        mgpv     1.00000   150.68363   150.68363   22
  Found one species comparison        mppv     1.00000   150.67499   150.68363   23
 180 mppv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       219.73323       133.20000      2170.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   290.49132   219.73323    1
  Found two species comparison        fo          coes     0.50000     0.50000   285.57022   219.73323    2
  Found two species comparison        fo          st       0.50000     0.50000   262.67184   219.73323    3
  Found two species comparison        fo          apbo     0.50000     0.50000   262.44258   219.73323    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   279.98651   219.73323    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   275.06542   219.73323    6
  Found two species comparison        mgwa        st       0.50000     0.50000   252.16704   219.73323    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   251.93777   219.73323    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   275.70720   219.73323    9
  Found two species comparison        mgri        coes     0.50000     0.50000   270.78611   219.73323   10
  Found two species comparison        mgri        st       0.50000     0.50000   247.88773   219.73323   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   247.65847   219.73323   12
  Found one species comparison        en       0.50000   297.95158   219.73323   13
  Found one species comparison        cen      0.50000   289.60176   219.73323   14
  Found one species comparison        mgc2     0.50000   290.25476   219.73323   15
  Found one species comparison        mgil     1.00000   247.77362   219.73323   16
  Found one species comparison        mgmj     0.25000   262.45579   219.73323   17
  Found two species comparison        qtz         pe       1.00000     0.25000   284.25947   219.73323   18
  Found two species comparison        coes        pe       1.00000     0.25000   274.41729   219.73323   19
  Found two species comparison        st          pe       1.00000     0.25000   228.62052   219.73323   20
  Found two species comparison        apbo        pe       1.00000     0.25000   228.16200   219.73323   21
  Found one species comparison        mgpv     1.00000   221.43389   219.73323   22
  Found one species comparison        mppv     1.00000   219.73323   219.73323   23
 181 mppv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1       201.28756       135.80000      2750.00000
  Found two species comparison        fo          qtz      0.50000     0.50000   270.01248   201.28756    1
  Found two species comparison        fo          coes     0.50000     0.50000   264.25194   201.28756    2
  Found two species comparison        fo          st       0.50000     0.50000   243.10843   201.28756    3
  Found two species comparison        fo          apbo     0.50000     0.50000   242.93065   201.28756    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000   260.12800   201.28756    5
  Found two species comparison        mgwa        coes     0.50000     0.50000   254.36747   201.28756    6
  Found two species comparison        mgwa        st       0.50000     0.50000   233.22396   201.28756    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000   233.04618   201.28756    8
  Found two species comparison        mgri        qtz      0.50000     0.50000   255.66617   201.28756    9
  Found two species comparison        mgri        coes     0.50000     0.50000   249.90564   201.28756   10
  Found two species comparison        mgri        st       0.50000     0.50000   228.76213   201.28756   11
  Found two species comparison        mgri        apbo     0.50000     0.50000   228.58435   201.28756   12
  Found one species comparison        en       0.50000   275.82740   201.28756   13
  Found one species comparison        cen      0.50000   270.34670   201.28756   14
  Found one species comparison        mgc2     0.50000   271.68499   201.28756   15
  Found one species comparison        mgil     1.00000   228.50148   201.28756   16
  Found one species comparison        mgmj     0.25000   241.71664   201.28756   17
  Found two species comparison        qtz         pe       1.00000     0.25000   264.23126   201.28756   18
  Found two species comparison        coes        pe       1.00000     0.25000   252.71020   201.28756   19
  Found two species comparison        st          pe       1.00000     0.25000   210.42318   201.28756   20
  Found two species comparison        apbo        pe       1.00000     0.25000   210.06762   201.28756   21
  Found one species comparison        mgpv     1.00000   202.35417   201.28756   22
  Found one species comparison        mppv     1.00000   201.28756   201.28756   23
 182 peco               0.00   4.00   0.00   0.00   8.00   0.00  16.00
Number of non-zero components,phases,Gapp    3    2      -242.02393        20.00000      1473.00000
  Found one species comparison        sp       1.00000  -240.56789  -242.02393    1
  Found two species comparison        co          pe       4.00000     1.00000  -242.02393  -242.02393    2
  Found two species comparison        alpv        pe       4.00000     1.00000  -235.91727  -242.02393    3
  Found two species comparison        appv        pe       4.00000     1.00000  -216.14461  -242.02393    4
  Found one species comparison        mgcf     4.00000  -241.05569  -242.02393    5
 183 peco               0.00   4.00   0.00   0.00   8.00   0.00  16.00
Number of non-zero components,phases,Gapp    3    2      -216.70730        27.00000      1673.00000
  Found one species comparison        sp       1.00000  -213.66707  -216.70730    1
  Found two species comparison        co          pe       4.00000     1.00000  -216.70730  -216.70730    2
  Found two species comparison        alpv        pe       4.00000     1.00000  -211.34774  -216.70730    3
  Found two species comparison        appv        pe       4.00000     1.00000  -193.02133  -216.70730    4
  Found one species comparison        mgcf     4.00000  -216.45210  -216.70730    5
 184 peco               0.00   4.00   0.00   0.00   8.00   0.00  16.00
Number of non-zero components,phases,Gapp    3    2      -231.30256        26.00000      1873.00000
  Found one species comparison        sp       1.00000  -229.10400  -231.30256    1
  Found two species comparison        co          pe       4.00000     1.00000  -231.30256  -231.30256    2
  Found two species comparison        alpv        pe       4.00000     1.00000  -226.13791  -231.30256    3
  Found two species comparison        appv        pe       4.00000     1.00000  -208.29883  -231.30256    4
  Found one species comparison        mgcf     4.00000  -231.24709  -231.30256    5
 185 peco               0.00   4.00   0.00   0.00   8.00   0.00  16.00
Number of non-zero components,phases,Gapp    3    2       -88.77866        45.00000         1.00000
  Found one species comparison        sp       1.00000   -74.86518   -88.77866    1
  Found two species comparison        co          pe       4.00000     1.00000   -88.77866   -88.77866    2
  Found two species comparison        alpv        pe       4.00000     1.00000   -83.55387   -88.77866    3
  Found two species comparison        appv        pe       4.00000     1.00000   -63.81168   -88.77866    4
  Found one species comparison        mgcf     4.00000   -88.77885   -88.77866    5
 186 mgcf               0.00   1.00   0.00   0.00   2.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -236.91747        27.00000      2073.00000
  Found one species comparison        sp       0.25000  -234.69915  -236.91747    1
  Found two species comparison        co          pe       1.00000     0.25000  -236.64400  -236.91747    2
  Found two species comparison        alpv        pe       1.00000     0.25000  -231.81351  -236.91747    3
  Found two species comparison        appv        pe       1.00000     0.25000  -214.70691  -236.91747    4
  Found one species comparison        mgcf     1.00000  -236.91747  -236.91747    5
 187 mgcf               0.00   1.00   0.00   0.00   2.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -242.37258        27.00000      2173.00000
  Found one species comparison        sp       0.25000  -240.27540  -242.37258    1
  Found two species comparison        co          pe       1.00000     0.25000  -241.95779  -242.37258    2
  Found two species comparison        alpv        pe       1.00000     0.25000  -237.26641  -242.37258    3
  Found two species comparison        appv        pe       1.00000     0.25000  -220.47464  -242.37258    4
  Found one species comparison        mgcf     1.00000  -242.37258  -242.37258    5
 188 mgcf               0.00   1.00   0.00   0.00   2.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1      -226.40131        27.00000      1873.00000
  Found one species comparison        sp       0.25000  -223.91583  -226.40131    1
  Found two species comparison        co          pe       1.00000     0.25000  -226.39946  -226.40131    2
  Found two species comparison        alpv        pe       1.00000     0.25000  -221.29896  -226.40131    3
  Found two species comparison        appv        pe       1.00000     0.25000  -203.57485  -226.40131    4
  Found one species comparison        mgcf     1.00000  -226.40131  -226.40131    5
 189 mgcf               0.00   1.00   0.00   0.00   2.00   0.00   4.00
Number of non-zero components,phases,Gapp    3    1       -88.77885        45.00000         1.00000
  Found one species comparison        sp       0.25000   -74.86518   -88.77885    1
  Found two species comparison        co          pe       1.00000     0.25000   -88.77866   -88.77885    2
  Found two species comparison        alpv        pe       1.00000     0.25000   -83.55387   -88.77885    3
  Found two species comparison        appv        pe       1.00000     0.25000   -63.81168   -88.77885    4
  Found one species comparison        mgcf     1.00000   -88.77885   -88.77885    5
 190 jdst               3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    2      -182.78030        22.00000      1073.00000
  Found one species comparison        ab       1.00000  -160.70682  -182.78030    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -176.64779  -182.78030    2
  Found two species comparison        jd          coes     1.00000     1.00000  -177.69639  -182.78030    3
  Found two species comparison        jd          st       1.00000     1.00000  -182.78030  -182.78030    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -181.34550  -182.78030    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -164.00041  -182.78030    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -169.93569  -182.78030    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -170.27232  -182.78030    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -160.76839  -182.78030    9
  Found two species comparison        coes        anao     3.00000     0.50000  -167.14621  -182.78030   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -172.03289  -182.78030   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -172.36952  -182.78030   12
  Found two species comparison        coes        neph     2.00000     1.00000  -162.86559  -182.78030   13
  Found two species comparison        st          anao     3.00000     0.50000  -182.39795  -182.78030   14
  Found two species comparison        st          nacf     2.00000     1.00000  -182.20072  -182.78030   15
  Found two species comparison        st          nnal     2.00000     0.33333  -182.53734  -182.78030   16
  Found two species comparison        st          neph     2.00000     1.00000  -173.03342  -182.78030   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -178.09355  -182.78030   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -179.33112  -182.78030   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -179.66774  -182.78030   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -170.16381  -182.78030   21
 191 jdst               3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    2      -190.53534        22.00000      1273.00000
  Found one species comparison        ab       1.00000  -169.20803  -190.53534    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -184.59739  -190.53534    2
  Found two species comparison        jd          coes     1.00000     1.00000  -185.72083  -190.53534    3
  Found two species comparison        jd          st       1.00000     1.00000  -190.53534  -190.53534    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -189.06918  -190.53534    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -171.82894  -190.53534    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -178.24829  -190.53534    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -178.18814  -190.53534    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -168.64627  -190.53534    9
  Found two species comparison        coes        anao     3.00000     0.50000  -175.19925  -190.53534   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -180.49516  -190.53534   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -180.43501  -190.53534   12
  Found two species comparison        coes        neph     2.00000     1.00000  -170.89314  -190.53534   13
  Found two species comparison        st          anao     3.00000     0.50000  -189.64279  -190.53534   14
  Found two species comparison        st          nacf     2.00000     1.00000  -190.12419  -190.53534   15
  Found two species comparison        st          nnal     2.00000     0.33333  -190.06404  -190.53534   16
  Found two species comparison        st          neph     2.00000     1.00000  -180.52217  -190.53534   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -185.24432  -190.53534   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -187.19187  -190.53534   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -187.13172  -190.53534   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -177.58985  -190.53534   21
 192 jdst               3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    2      -199.07162        22.00000      1473.00000
  Found one species comparison        ab       1.00000  -178.48776  -199.07162    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -193.32925  -199.07162    2
  Found two species comparison        jd          coes     1.00000     1.00000  -194.52306  -199.07162    3
  Found two species comparison        jd          st       1.00000     1.00000  -199.07162  -199.07162    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -197.57349  -199.07162    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -180.44985  -199.07162    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -187.36140  -199.07162    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -186.89710  -199.07162    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -177.33003  -199.07162    9
  Found two species comparison        coes        anao     3.00000     0.50000  -184.03128  -199.07162   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -189.74902  -199.07162   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -189.28472  -199.07162   12
  Found two species comparison        coes        neph     2.00000     1.00000  -179.71765  -199.07162   13
  Found two species comparison        st          anao     3.00000     0.50000  -197.67694  -199.07162   14
  Found two species comparison        st          nacf     2.00000     1.00000  -198.84613  -199.07162   15
  Found two species comparison        st          nnal     2.00000     0.33333  -198.38182  -199.07162   16
  Found two species comparison        st          neph     2.00000     1.00000  -188.81475  -199.07162   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -193.18257  -199.07162   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -195.84988  -199.07162   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -195.38557  -199.07162   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -185.81850  -199.07162   21
 193 nacfst             3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    2      -185.44653        23.00000      1273.00000
  Found one species comparison        ab       1.00000  -163.20414  -185.44653    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -179.04256  -185.44653    2
  Found two species comparison        jd          coes     1.00000     1.00000  -180.18170  -185.44653    3
  Found two species comparison        jd          st       1.00000     1.00000  -185.31432  -185.44653    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -183.87045  -185.44653    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -166.14386  -185.44653    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -172.90300  -185.44653    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -172.84697  -185.44653    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -162.68645  -185.44653    9
  Found two species comparison        coes        anao     3.00000     0.50000  -169.56129  -185.44653   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -175.18128  -185.44653   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -175.12526  -185.44653   12
  Found two species comparison        coes        neph     2.00000     1.00000  -164.96473  -185.44653   13
  Found two species comparison        st          anao     3.00000     0.50000  -184.95916  -185.44653   14
  Found two species comparison        st          nacf     2.00000     1.00000  -185.44653  -185.44653   15
  Found two species comparison        st          nnal     2.00000     0.33333  -185.39050  -185.44653   16
  Found two species comparison        st          neph     2.00000     1.00000  -175.22998  -185.44653   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -180.62754  -185.44653   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -182.55879  -185.44653   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -182.50276  -185.44653   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -172.34224  -185.44653   21
 194 nacfst             3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    2      -194.14556        23.00000      1473.00000
  Found one species comparison        ab       1.00000  -172.46279  -194.14556    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -187.75559  -194.14556    2
  Found two species comparison        jd          coes     1.00000     1.00000  -188.96847  -194.14556    3
  Found two species comparison        jd          st       1.00000     1.00000  -193.83242  -194.14556    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -192.35681  -194.14556    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -174.74073  -194.14556    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -181.99190  -194.14556    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -181.53269  -194.14556    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -171.33874  -194.14556    9
  Found two species comparison        coes        anao     3.00000     0.50000  -178.37937  -194.14556   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -184.41766  -194.14556   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -183.95845  -194.14556   12
  Found two species comparison        coes        neph     2.00000     1.00000  -173.76450  -194.14556   13
  Found two species comparison        st          anao     3.00000     0.50000  -192.97122  -194.14556   14
  Found two species comparison        st          nacf     2.00000     1.00000  -194.14556  -194.14556   15
  Found two species comparison        st          nnal     2.00000     0.33333  -193.68635  -194.14556   16
  Found two species comparison        st          neph     2.00000     1.00000  -183.49240  -194.14556   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -188.54437  -194.14556   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -191.19433  -194.14556   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -190.73511  -194.14556   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -180.54117  -194.14556   21
 195 ab                 3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    1      -290.01222         1.60000       873.00000
  Found one species comparison        ab       1.00000  -290.01222  -290.01222    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -289.94524  -290.01222    2
  Found two species comparison        jd          coes     1.00000     1.00000  -289.80603  -290.01222    3
  Found two species comparison        jd          st       1.00000     1.00000  -287.05271  -290.01222    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -285.15080  -290.01222    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -283.17294  -290.01222    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -279.05114  -290.01222    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -279.83463  -290.01222    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -288.83045  -290.01222    9
  Found two species comparison        coes        anao     3.00000     0.50000  -282.75532  -290.01222   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -278.77272  -290.01222   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -279.55622  -290.01222   12
  Found two species comparison        coes        neph     2.00000     1.00000  -288.55204  -290.01222   13
  Found two species comparison        st          anao     3.00000     0.50000  -274.49536  -290.01222   14
  Found two species comparison        st          nacf     2.00000     1.00000  -273.26608  -290.01222   15
  Found two species comparison        st          nnal     2.00000     0.33333  -274.04958  -290.01222   16
  Found two species comparison        st          neph     2.00000     1.00000  -283.04540  -290.01222   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -268.78962  -290.01222   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -269.46226  -290.01222   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -270.24575  -290.01222   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -279.24158  -290.01222   21
 196 jdqtz              3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    2      -289.62593         1.65000       873.00000
  Found one species comparison        ab       1.00000  -289.63000  -289.62593    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -289.62593  -289.62593    2
  Found two species comparison        jd          coes     1.00000     1.00000  -289.49426  -289.62593    3
  Found two species comparison        jd          st       1.00000     1.00000  -286.76524  -289.62593    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -284.86469  -289.62593    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -282.82617  -289.62593    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -278.73778  -289.62593    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -279.52076  -289.62593    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -288.44961  -289.62593    9
  Found two species comparison        coes        anao     3.00000     0.50000  -282.43116  -289.62593   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -278.47444  -289.62593   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -279.25742  -289.62593   12
  Found two species comparison        coes        neph     2.00000     1.00000  -288.18627  -289.62593   13
  Found two species comparison        st          anao     3.00000     0.50000  -274.24409  -289.62593   14
  Found two species comparison        st          nacf     2.00000     1.00000  -273.01639  -289.62593   15
  Found two species comparison        st          nnal     2.00000     0.33333  -273.79937  -289.62593   16
  Found two species comparison        st          neph     2.00000     1.00000  -282.72822  -289.62593   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -268.54245  -289.62593   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -269.21530  -289.62593   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -269.99828  -289.62593   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -278.92713  -289.62593   21
 197 ab                 3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    1      -294.37403         2.10000      1073.00000
  Found one species comparison        ab       1.00000  -294.37403  -294.37403    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -294.29263  -294.37403    2
  Found two species comparison        jd          coes     1.00000     1.00000  -294.19507  -294.37403    3
  Found two species comparison        jd          st       1.00000     1.00000  -291.46687  -294.37403    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -289.54212  -294.37403    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -287.29956  -294.37403    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -283.93431  -294.37403    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -284.30786  -294.37403    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -292.90440  -294.37403    9
  Found two species comparison        coes        anao     3.00000     0.50000  -287.00689  -294.37403   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -283.73919  -294.37403   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -284.11275  -294.37403   12
  Found two species comparison        coes        neph     2.00000     1.00000  -292.70929  -294.37403   13
  Found two species comparison        st          anao     3.00000     0.50000  -278.82228  -294.37403   14
  Found two species comparison        st          nacf     2.00000     1.00000  -278.28279  -294.37403   15
  Found two species comparison        st          nnal     2.00000     0.33333  -278.65634  -294.37403   16
  Found two species comparison        st          neph     2.00000     1.00000  -287.25288  -294.37403   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -273.04802  -294.37403   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -274.43328  -294.37403   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -274.80683  -294.37403   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -283.40337  -294.37403   21
 198 jdqtz              3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    2      -293.65359         2.20000      1073.00000
  Found one species comparison        ab       1.00000  -293.61158  -293.65359    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -293.65359  -293.65359    2
  Found two species comparison        jd          coes     1.00000     1.00000  -293.57137  -293.65359    3
  Found two species comparison        jd          st       1.00000     1.00000  -290.89089  -293.65359    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -288.96889  -293.65359    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -286.60579  -293.65359    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -283.30672  -293.65359    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -283.67938  -293.65359    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -292.14378  -293.65359    9
  Found two species comparison        coes        anao     3.00000     0.50000  -286.35913  -293.65359   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -283.14228  -293.65359   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -283.51494  -293.65359   12
  Found two species comparison        coes        neph     2.00000     1.00000  -291.97934  -293.65359   13
  Found two species comparison        st          anao     3.00000     0.50000  -278.31768  -293.65359   14
  Found two species comparison        st          nacf     2.00000     1.00000  -277.78132  -293.65359   15
  Found two species comparison        st          nnal     2.00000     0.33333  -278.15397  -293.65359   16
  Found two species comparison        st          neph     2.00000     1.00000  -286.61837  -293.65359   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -272.55167  -293.65359   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -273.93731  -293.65359   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -274.30996  -293.65359   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -282.77437  -293.65359   21
 199 ab                 3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    1      -296.90820         2.35000      1173.00000
  Found one species comparison        ab       1.00000  -296.90820  -296.90820    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -296.81951  -296.90820    2
  Found two species comparison        jd          coes     1.00000     1.00000  -296.74032  -296.90820    3
  Found two species comparison        jd          st       1.00000     1.00000  -294.02456  -296.90820    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -292.08803  -296.90820    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -289.72370  -296.90820    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -286.73793  -296.90820    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -286.90315  -296.90820    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -295.29756  -296.90820    9
  Found two species comparison        coes        anao     3.00000     0.50000  -289.48613  -296.90820   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -286.57955  -296.90820   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -286.74477  -296.90820   12
  Found two species comparison        coes        neph     2.00000     1.00000  -295.13918  -296.90820   13
  Found two species comparison        st          anao     3.00000     0.50000  -281.33885  -296.90820   14
  Found two species comparison        st          nacf     2.00000     1.00000  -281.14803  -296.90820   15
  Found two species comparison        st          nnal     2.00000     0.33333  -281.31325  -296.90820   16
  Found two species comparison        st          neph     2.00000     1.00000  -289.70765  -296.90820   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -275.52925  -296.90820   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -277.27496  -296.90820   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -277.44018  -296.90820   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -285.83459  -296.90820   21
 200 jdqtz              3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    2      -295.86066         2.50000      1173.00000
  Found one species comparison        ab       1.00000  -295.76622  -295.86066    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -295.86066  -295.86066    2
  Found two species comparison        jd          coes     1.00000     1.00000  -295.80472  -295.86066    3
  Found two species comparison        jd          st       1.00000     1.00000  -293.15984  -295.86066    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -291.22746  -295.86066    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -288.68280  -295.86066    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -285.79584  -295.86066    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -285.95981  -295.86066    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -294.15750  -295.86066    9
  Found two species comparison        coes        anao     3.00000     0.50000  -288.51498  -295.86066   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -285.68396  -295.86066   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -285.84793  -295.86066   12
  Found two species comparison        coes        neph     2.00000     1.00000  -294.04562  -295.86066   13
  Found two species comparison        st          anao     3.00000     0.50000  -280.58037  -295.86066   14
  Found two species comparison        st          nacf     2.00000     1.00000  -280.39422  -295.86066   15
  Found two species comparison        st          nnal     2.00000     0.33333  -280.55818  -295.86066   16
  Found two species comparison        st          neph     2.00000     1.00000  -288.75588  -295.86066   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -274.78322  -295.86066   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -276.52945  -295.86066   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -276.69342  -295.86066   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -284.89111  -295.86066   21
 201 ab                 3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    1      -299.65177         2.60000      1273.00000
  Found one species comparison        ab       1.00000  -299.65177  -299.65177    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -299.55639  -299.65177    2
  Found two species comparison        jd          coes     1.00000     1.00000  -299.49390  -299.65177    3
  Found two species comparison        jd          st       1.00000     1.00000  -296.79088  -299.65177    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -294.84239  -299.65177    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -292.36309  -299.65177    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -289.75724  -299.65177    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -289.71234  -299.65177    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -297.90258  -299.65177    9
  Found two species comparison        coes        anao     3.00000     0.50000  -292.17562  -299.65177   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -289.63226  -299.65177   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -289.58736  -299.65177   12
  Found two species comparison        coes        neph     2.00000     1.00000  -297.77760  -299.65177   13
  Found two species comparison        st          anao     3.00000     0.50000  -284.06656  -299.65177   14
  Found two species comparison        st          nacf     2.00000     1.00000  -284.22623  -299.65177   15
  Found two species comparison        st          nnal     2.00000     0.33333  -284.18132  -299.65177   16
  Found two species comparison        st          neph     2.00000     1.00000  -292.37157  -299.65177   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -278.22109  -299.65177   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -280.32924  -299.65177   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -280.28434  -299.65177   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -288.47458  -299.65177   21
 202 jdqtz              3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    2      -298.59686         2.75000      1273.00000
  Found one species comparison        ab       1.00000  -298.51101  -298.59686    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -298.59686  -298.59686    2
  Found two species comparison        jd          coes     1.00000     1.00000  -298.55805  -298.59686    3
  Found two species comparison        jd          st       1.00000     1.00000  -295.92527  -298.59686    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -293.98095  -298.59686    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -291.32116  -298.59686    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -288.81390  -298.59686    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -288.76783  -298.59686    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -296.76263  -298.59686    9
  Found two species comparison        coes        anao     3.00000     0.50000  -291.20472  -298.59686   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -288.73627  -298.59686   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -288.69021  -298.59686   12
  Found two species comparison        coes        neph     2.00000     1.00000  -296.68500  -298.59686   13
  Found two species comparison        st          anao     3.00000     0.50000  -283.30637  -298.59686   14
  Found two species comparison        st          nacf     2.00000     1.00000  -283.47071  -298.59686   15
  Found two species comparison        st          nnal     2.00000     0.33333  -283.42464  -298.59686   16
  Found two species comparison        st          neph     2.00000     1.00000  -291.41943  -298.59686   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -277.47341  -298.59686   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -279.58207  -298.59686   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -279.53600  -298.59686   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -287.53079  -298.59686   21
 203 ab                 3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    1      -302.96932         2.80000      1373.00000
  Found one species comparison        ab       1.00000  -302.96932  -302.96932    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -302.80824  -302.96932    2
  Found two species comparison        jd          coes     1.00000     1.00000  -302.75248  -302.96932    3
  Found two species comparison        jd          st       1.00000     1.00000  -300.03946  -302.96932    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -298.07746  -302.96932    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -295.55091  -302.96932    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -293.29217  -302.96932    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -293.03595  -302.96932    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -301.08480  -302.96932    9
  Found two species comparison        coes        anao     3.00000     0.50000  -295.38364  -302.96932   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -293.18066  -302.96932   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -292.92444  -302.96932   12
  Found two species comparison        coes        neph     2.00000     1.00000  -300.97329  -302.96932   13
  Found two species comparison        st          anao     3.00000     0.50000  -287.24459  -302.96932   14
  Found two species comparison        st          nacf     2.00000     1.00000  -287.75462  -302.96932   15
  Found two species comparison        st          nnal     2.00000     0.33333  -287.49840  -302.96932   16
  Found two species comparison        st          neph     2.00000     1.00000  -295.54725  -302.96932   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -281.35859  -302.96932   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -283.83062  -302.96932   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -283.57440  -302.96932   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -291.62325  -302.96932   21
 204 ab                 3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    1      -302.20870         2.90000      1373.00000
  Found one species comparison        ab       1.00000  -302.20870  -302.20870    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -302.16741  -302.20870    2
  Found two species comparison        jd          coes     1.00000     1.00000  -302.12805  -302.20870    3
  Found two species comparison        jd          st       1.00000     1.00000  -299.46149  -302.20870    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -297.50229  -302.20870    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -294.85419  -302.20870    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -292.66145  -302.20870    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -292.40450  -302.20870    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -300.32346  -302.20870    9
  Found two species comparison        coes        anao     3.00000     0.50000  -294.73611  -302.20870   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -292.58273  -302.20870   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -292.32578  -302.20870   12
  Found two species comparison        coes        neph     2.00000     1.00000  -300.24474  -302.20870   13
  Found two species comparison        st          anao     3.00000     0.50000  -286.73643  -302.20870   14
  Found two species comparison        st          nacf     2.00000     1.00000  -287.24961  -302.20870   15
  Found two species comparison        st          nnal     2.00000     0.33333  -286.99266  -302.20870   16
  Found two species comparison        st          neph     2.00000     1.00000  -294.91162  -302.20870   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -280.85883  -302.20870   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -283.33121  -302.20870   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -283.07426  -302.20870   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -290.99322  -302.20870   21
 205 jdqtz              3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    2      -301.52741         3.00000      1373.00000
  Found one species comparison        ab       1.00000  -301.44930  -301.52741    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -301.52741  -301.52741    2
  Found two species comparison        jd          coes     1.00000     1.00000  -301.50410  -301.52741    3
  Found two species comparison        jd          st       1.00000     1.00000  -298.88390  -301.52741    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -296.92749  -301.52741    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -294.15906  -301.52741    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -292.03184  -301.52741    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -291.77418  -301.52741    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -299.56384  -301.52741    9
  Found two species comparison        coes        anao     3.00000     0.50000  -294.08913  -301.52741   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -291.98523  -301.52741   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -291.72756  -301.52741   12
  Found two species comparison        coes        neph     2.00000     1.00000  -299.51722  -301.52741   13
  Found two species comparison        st          anao     3.00000     0.50000  -286.22853  -301.52741   14
  Found two species comparison        st          nacf     2.00000     1.00000  -286.74482  -301.52741   15
  Found two species comparison        st          nnal     2.00000     0.33333  -286.48716  -301.52741   16
  Found two species comparison        st          neph     2.00000     1.00000  -294.27682  -301.52741   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -280.35931  -301.52741   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -282.83201  -301.52741   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -282.57435  -301.52741   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -290.36401  -301.52741   21
 206 ab                 3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    1      -305.70577         3.10000      1473.00000
  Found one species comparison        ab       1.00000  -305.70577  -305.70577    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -305.60012  -305.70577    2
  Found two species comparison        jd          coes     1.00000     1.00000  -305.56578  -305.70577    3
  Found two species comparison        jd          st       1.00000     1.00000  -302.88990  -305.70577    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -300.91706  -305.70577    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -298.22832  -305.70577    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -296.38285  -305.70577    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -295.91317  -305.70577    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -303.68819  -305.70577    9
  Found two species comparison        coes        anao     3.00000     0.50000  -298.12529  -305.70577   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -296.31417  -305.70577   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -295.84448  -305.70577   12
  Found two species comparison        coes        neph     2.00000     1.00000  -303.61950  -305.70577   13
  Found two species comparison        st          anao     3.00000     0.50000  -290.09766  -305.70577   14
  Found two species comparison        st          nacf     2.00000     1.00000  -290.96241  -305.70577   15
  Found two species comparison        st          nnal     2.00000     0.33333  -290.49273  -305.70577   16
  Found two species comparison        st          neph     2.00000     1.00000  -298.26775  -305.70577   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -284.17913  -305.70577   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -287.01673  -305.70577   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -286.54704  -305.70577   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -294.32206  -305.70577   21
 207 jdqtz              3.00   0.00   0.00   0.00   1.00   1.00   8.00
Number of non-zero components,phases,Gapp    4    2      -304.31891         3.30000      1473.00000
  Found one species comparison        ab       1.00000  -304.18856  -304.31891    1
  Found two species comparison        jd          qtz      1.00000     1.00000  -304.31891  -304.31891    2
  Found two species comparison        jd          coes     1.00000     1.00000  -304.31753  -304.31891    3
  Found two species comparison        jd          st       1.00000     1.00000  -301.73348  -304.31891    4
  Found two species comparison        jd          apbo     1.00000     1.00000  -299.76625  -304.31891    5
  Found two species comparison        qtz         anao     3.00000     0.50000  -296.83576  -304.31891    6
  Found two species comparison        qtz         nacf     2.00000     1.00000  -295.12133  -304.31891    7
  Found two species comparison        qtz         nnal     2.00000     0.33333  -294.65034  -304.31891    8
  Found two species comparison        qtz         neph     2.00000     1.00000  -302.16847  -304.31891    9
  Found two species comparison        coes        anao     3.00000     0.50000  -296.83161  -304.31891   10
  Found two species comparison        coes        nacf     2.00000     1.00000  -295.11857  -304.31891   11
  Found two species comparison        coes        nnal     2.00000     0.33333  -294.64757  -304.31891   12
  Found two species comparison        coes        neph     2.00000     1.00000  -302.16570  -304.31891   13
  Found two species comparison        st          anao     3.00000     0.50000  -289.07945  -304.31891   14
  Found two species comparison        st          nacf     2.00000     1.00000  -289.95046  -304.31891   15
  Found two species comparison        st          nnal     2.00000     0.33333  -289.47947  -304.31891   16
  Found two species comparison        st          neph     2.00000     1.00000  -296.99760  -304.31891   17
  Found two species comparison        apbo        anao     3.00000     0.50000  -283.17778  -304.31891   18
  Found two species comparison        apbo        nacf     2.00000     1.00000  -286.01602  -304.31891   19
  Found two species comparison        apbo        nnal     2.00000     0.33333  -285.54502  -304.31891   20
  Found two species comparison        apbo        neph     2.00000     1.00000  -293.06315  -304.31891   21
 208 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -261.79742         7.91000      1282.00000
  Found one species comparison        qtz      1.00000  -259.50212  -261.79742    1
  Found one species comparison        coes     1.00000  -261.79742  -261.79742    2
  Found one species comparison        st       1.00000  -260.23545  -261.79742    3
  Found one species comparison        apbo     1.00000  -252.40407  -261.79742    4
 209 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -260.26519         7.99000      1258.00000
  Found one species comparison        qtz      1.00000  -257.94749  -260.26519    1
  Found one species comparison        coes     1.00000  -260.26519  -260.26519    2
  Found one species comparison        st       1.00000  -258.96629  -260.26519    3
  Found one species comparison        apbo     1.00000  -251.16249  -260.26519    4
 210 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -259.52884         8.36000      1297.00000
  Found one species comparison        qtz      1.00000  -257.07728  -259.52884    1
  Found one species comparison        coes     1.00000  -259.52884  -259.52884    2
  Found one species comparison        st       1.00000  -258.70558  -259.52884    3
  Found one species comparison        apbo     1.00000  -250.91326  -259.52884    4
 211 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -259.24806         8.47000      1307.00000
  Found one species comparison        qtz      1.00000  -256.75749  -259.24806    1
  Found one species comparison        coes     1.00000  -259.24806  -259.24806    2
  Found one species comparison        st       1.00000  -258.57291  -259.24806    3
  Found one species comparison        apbo     1.00000  -250.78522  -259.24806    4
 212 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -267.22647         8.62000      1507.00000
  Found one species comparison        qtz      1.00000  -264.64744  -267.22647    1
  Found one species comparison        coes     1.00000  -267.22647  -267.22647    2
  Found one species comparison        st       1.00000  -265.84772  -267.22647    3
  Found one species comparison        apbo     1.00000  -257.92094  -267.22647    4
 213 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -238.67866         9.70000       881.00000
  Found one species comparison        qtz      1.00000  -232.36530  -238.67866    1
  Found one species comparison        coes     1.00000  -234.99400  -238.67866    2
  Found one species comparison        st       1.00000  -238.67866  -238.67866    3
  Found one species comparison        apbo     1.00000  -231.34419  -238.67866    4
 214 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -241.67906         9.81000       999.00000
  Found one species comparison        qtz      1.00000  -235.67467  -241.67906    1
  Found one species comparison        coes     1.00000  -238.41165  -241.67906    2
  Found one species comparison        st       1.00000  -241.67906  -241.67906    3
  Found one species comparison        apbo     1.00000  -234.27106  -241.67906    4
 215 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -261.70522         8.93000      1430.00000
  Found one species comparison        qtz      1.00000  -259.03279  -261.70522    1
  Found one species comparison        coes     1.00000  -261.70522  -261.70522    2
  Found one species comparison        st       1.00000  -261.24620  -261.70522    3
  Found one species comparison        apbo     1.00000  -253.41481  -261.70522    4
 216 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -263.01262         8.79000      1439.00000
  Found one species comparison        qtz      1.00000  -260.38525  -263.01262    1
  Found one species comparison        coes     1.00000  -263.01262  -263.01262    2
  Found one species comparison        st       1.00000  -262.26229  -263.01262    3
  Found one species comparison        apbo     1.00000  -254.40808  -263.01262    4
 217 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -263.09182         9.04000      1476.00000
  Found one species comparison        qtz      1.00000  -260.37294  -263.09182    1
  Found one species comparison        coes     1.00000  -263.09182  -263.09182    2
  Found one species comparison        st       1.00000  -262.60355  -263.09182    3
  Found one species comparison        apbo     1.00000  -254.74868  -263.09182    4
 218 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -228.90647        11.36000       800.00000
  Found one species comparison        qtz      1.00000  -218.97387  -228.90647    1
  Found one species comparison        coes     1.00000  -221.89524  -228.90647    2
  Found one species comparison        st       1.00000  -228.90647  -228.90647    3
  Found one species comparison        apbo     1.00000  -221.80558  -228.90647    4
 219 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -269.29769         9.76000      1703.00000
  Found one species comparison        qtz      1.00000  -266.29801  -269.29769    1
  Found one species comparison        coes     1.00000  -269.29769  -269.29769    2
  Found one species comparison        st       1.00000  -268.97894  -269.29769    3
  Found one species comparison        apbo     1.00000  -261.02719  -269.29769    4
 220 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -235.55795        10.32000       871.00000
  Found one species comparison        qtz      1.00000  -227.96148  -235.55795    1
  Found one species comparison        coes     1.00000  -230.72717  -235.55795    2
  Found one species comparison        st       1.00000  -235.55795  -235.55795    3
  Found one species comparison        apbo     1.00000  -228.29710  -235.55795    4
 221 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -242.99169         9.35000       973.00000
  Found one species comparison        qtz      1.00000  -237.80318  -242.99169    1
  Found one species comparison        coes     1.00000  -240.40564  -242.99169    2
  Found one species comparison        st       1.00000  -242.99169  -242.99169    3
  Found one species comparison        apbo     1.00000  -235.55281  -242.99169    4
 222 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -258.37594         9.06000      1373.00000
  Found one species comparison        qtz      1.00000  -255.62612  -258.37594    1
  Found one species comparison        coes     1.00000  -258.32646  -258.37594    2
  Found one species comparison        st       1.00000  -258.37594  -258.37594    3
  Found one species comparison        apbo     1.00000  -250.60339  -258.37594    4
 223 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -260.64062         8.70000      1373.00000
  Found one species comparison        qtz      1.00000  -258.05762  -260.64062    1
  Found one species comparison        coes     1.00000  -260.64062  -260.64062    2
  Found one species comparison        st       1.00000  -260.05204  -260.64062    3
  Found one species comparison        apbo     1.00000  -252.23907  -260.64062    4
 224 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -259.81903         8.17000      1275.00000
  Found one species comparison        qtz      1.00000  -257.43643  -259.81903    1
  Found one species comparison        coes     1.00000  -259.81903  -259.81903    2
  Found one species comparison        st       1.00000  -258.76199  -259.81903    3
  Found one species comparison        apbo     1.00000  -250.96531  -259.81903    4
 225 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -265.95023         9.30000      1573.00000
  Found one species comparison        qtz      1.00000  -263.12607  -265.95023    1
  Found one species comparison        coes     1.00000  -265.95023  -265.95023    2
  Found one species comparison        st       1.00000  -265.45111  -265.95023    3
  Found one species comparison        apbo     1.00000  -257.54963  -265.95023    4
 226 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -261.37967         9.32000      1478.00000
  Found one species comparison        qtz      1.00000  -258.57463  -261.37967    1
  Found one species comparison        coes     1.00000  -261.38649  -261.37967    2
  Found one species comparison        st       1.00000  -261.37967  -261.37967    3
  Found one species comparison        apbo     1.00000  -253.55480  -261.37967    4
 227 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -259.80899         9.71000      1484.00000
  Found one species comparison        qtz      1.00000  -256.22732  -259.80899    1
  Found one species comparison        coes     1.00000  -259.16563  -259.80899    2
  Found one species comparison        st       1.00000  -259.80899  -259.80899    3
  Found one species comparison        apbo     1.00000  -252.02324  -259.80899    4
 228 st                 1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -263.86669         9.63000      1572.00000
  Found one species comparison        qtz      1.00000  -260.85349  -263.86669    1
  Found one species comparison        coes     1.00000  -263.78788  -263.86669    2
  Found one species comparison        st       1.00000  -263.86669  -263.86669    3
  Found one species comparison        apbo     1.00000  -256.00332  -263.86669    4
 229 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -272.51538        10.04000      1803.00000
  Found one species comparison        qtz      1.00000  -269.40868  -272.51538    1
  Found one species comparison        coes     1.00000  -272.51538  -272.51538    2
  Found one species comparison        st       1.00000  -272.20931  -272.51538    3
  Found one species comparison        apbo     1.00000  -264.21020  -272.51538    4
 230 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -262.07839         7.71000      1258.00000
  Found one species comparison        qtz      1.00000  -259.85745  -262.07839    1
  Found one species comparison        coes     1.00000  -262.07839  -262.07839    2
  Found one species comparison        st       1.00000  -260.27041  -262.07839    3
  Found one species comparison        apbo     1.00000  -252.43504  -262.07839    4
 231 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -260.83870         7.74000      1233.00000
  Found one species comparison        qtz      1.00000  -258.61230  -260.83870    1
  Found one species comparison        coes     1.00000  -260.83870  -260.83870    2
  Found one species comparison        st       1.00000  -259.20835  -260.83870    3
  Found one species comparison        apbo     1.00000  -251.39571  -260.83870    4
 232 qtz                1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -276.07375         2.46000       673.00000
  Found one species comparison        qtz      1.00000  -276.07375  -276.07375    1
  Found one species comparison        coes     1.00000  -276.05335  -276.07375    2
  Found one species comparison        st       1.00000  -266.86796  -276.07375    3
  Found one species comparison        apbo     1.00000  -258.87700  -276.07375    4
 233 qtz                1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -278.71452         2.50000       773.00000
  Found one species comparison        qtz      1.00000  -278.71452  -278.71452    1
  Found one species comparison        coes     1.00000  -278.69356  -278.71452    2
  Found one species comparison        st       1.00000  -269.11618  -278.71452    3
  Found one species comparison        apbo     1.00000  -261.05632  -278.71452    4
 234 qtz                1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -278.42281         2.54000       773.00000
  Found one species comparison        qtz      1.00000  -278.42281  -278.42281    1
  Found one species comparison        coes     1.00000  -278.42350  -278.42281    2
  Found one species comparison        st       1.00000  -268.92891  -278.42281    3
  Found one species comparison        apbo     1.00000  -260.87369  -278.42281    4
 235 qtz                1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -281.08398         2.62000       873.00000
  Found one species comparison        qtz      1.00000  -281.08398  -281.08398    1
  Found one species comparison        coes     1.00000  -281.09672  -281.08398    2
  Found one species comparison        st       1.00000  -271.29028  -281.08398    3
  Found one species comparison        apbo     1.00000  -263.16851  -281.08398    4
 236 qtz                1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -284.17336         2.68000       973.00000
  Found one species comparison        qtz      1.00000  -284.17336  -284.17336    1
  Found one species comparison        coes     1.00000  -284.17704  -284.17336    2
  Found one species comparison        st       1.00000  -274.01861  -284.17336    3
  Found one species comparison        apbo     1.00000  -265.82618  -284.17336    4
 237 qtz                1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -287.22616         2.78000      1073.00000
  Found one species comparison        qtz      1.00000  -287.22616  -287.22616    1
  Found one species comparison        coes     1.00000  -287.23365  -287.22616    2
  Found one species comparison        st       1.00000  -276.80845  -287.22616    3
  Found one species comparison        apbo     1.00000  -268.54867  -287.22616    4
 238 qtz                1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -290.73548         2.85000      1173.00000
  Found one species comparison        qtz      1.00000  -290.73548  -290.73548    1
  Found one species comparison        coes     1.00000  -290.71794  -290.73548    2
  Found one species comparison        st       1.00000  -279.96962  -290.73548    3
  Found one species comparison        apbo     1.00000  -271.63777  -290.73548    4
 239 qtz                1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -290.73548         2.85000      1173.00000
  Found one species comparison        qtz      1.00000  -290.73548  -290.73548    1
  Found one species comparison        coes     1.00000  -290.71794  -290.73548    2
  Found one species comparison        st       1.00000  -279.96962  -290.73548    3
  Found one species comparison        apbo     1.00000  -271.63777  -290.73548    4
 240 qtz                1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -294.39049         2.93000      1273.00000
  Found one species comparison        qtz      1.00000  -294.39049  -294.39049    1
  Found one species comparison        coes     1.00000  -294.34164  -294.39049    2
  Found one species comparison        st       1.00000  -283.29680  -294.39049    3
  Found one species comparison        apbo     1.00000  -274.89306  -294.39049    4
 241 qtz                1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -294.24234         2.95000      1273.00000
  Found one species comparison        qtz      1.00000  -294.24234  -294.24234    1
  Found one species comparison        coes     1.00000  -294.20650  -294.24234    2
  Found one species comparison        st       1.00000  -283.20200  -294.24234    3
  Found one species comparison        apbo     1.00000  -274.80066  -294.24234    4
 242 qtz                1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -276.07375         2.46000       673.00000
  Found one species comparison        qtz      1.00000  -276.07375  -276.07375    1
  Found one species comparison        coes     1.00000  -276.05335  -276.07375    2
  Found one species comparison        st       1.00000  -266.86796  -276.07375    3
  Found one species comparison        apbo     1.00000  -258.87700  -276.07375    4
 243 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -275.91838         2.48000       673.00000
  Found one species comparison        qtz      1.00000  -275.92833  -275.91838    1
  Found one species comparison        coes     1.00000  -275.91838  -275.91838    2
  Found one species comparison        st       1.00000  -266.77455  -275.91838    3
  Found one species comparison        apbo     1.00000  -258.78589  -275.91838    4
 244 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -278.28850         2.56000       773.00000
  Found one species comparison        qtz      1.00000  -278.27704  -278.28850    1
  Found one species comparison        coes     1.00000  -278.28850  -278.28850    2
  Found one species comparison        st       1.00000  -268.83529  -278.28850    3
  Found one species comparison        apbo     1.00000  -260.78239  -278.28850    4
 245 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -278.15353         2.58000       773.00000
  Found one species comparison        qtz      1.00000  -278.13132  -278.15353    1
  Found one species comparison        coes     1.00000  -278.15353  -278.15353    2
  Found one species comparison        st       1.00000  -268.74167  -278.15353    3
  Found one species comparison        apbo     1.00000  -260.69109  -278.15353    4
 246 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -280.89420         2.65000       873.00000
  Found one species comparison        qtz      1.00000  -280.86479  -280.89420    1
  Found one species comparison        coes     1.00000  -280.89420  -280.89420    2
  Found one species comparison        st       1.00000  -271.14952  -280.89420    3
  Found one species comparison        apbo     1.00000  -263.03125  -280.89420    4
 247 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -283.90693         2.72000       973.00000
  Found one species comparison        qtz      1.00000  -283.88019  -283.90693    1
  Found one species comparison        coes     1.00000  -283.90693  -283.90693    2
  Found one species comparison        st       1.00000  -273.83047  -283.90693    3
  Found one species comparison        apbo     1.00000  -265.64274  -283.90693    4
 248 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -283.63692         2.76000       973.00000
  Found one species comparison        qtz      1.00000  -283.58726  -283.63692    1
  Found one species comparison        coes     1.00000  -283.63692  -283.63692    2
  Found one species comparison        st       1.00000  -273.64235  -283.63692    3
  Found one species comparison        apbo     1.00000  -265.45933  -283.63692    4
 249 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -287.09858         2.80000      1073.00000
  Found one species comparison        qtz      1.00000  -287.07915  -287.09858    1
  Found one species comparison        coes     1.00000  -287.09858  -287.09858    2
  Found one species comparison        st       1.00000  -276.71415  -287.09858    3
  Found one species comparison        apbo     1.00000  -268.45674  -287.09858    4
 250 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -290.58283         2.87000      1173.00000
  Found one species comparison        qtz      1.00000  -290.58792  -290.58283    1
  Found one species comparison        coes     1.00000  -290.58283  -290.58283    2
  Found one species comparison        st       1.00000  -279.87507  -290.58283    3
  Found one species comparison        apbo     1.00000  -271.54561  -290.58283    4
 251 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -290.38021         2.90000      1173.00000
  Found one species comparison        qtz      1.00000  -290.36670  -290.38021    1
  Found one species comparison        coes     1.00000  -290.38021  -290.38021    2
  Found one species comparison        st       1.00000  -279.73326  -290.38021    3
  Found one species comparison        apbo     1.00000  -271.40738  -290.38021    4
 252 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -290.51528         2.88000      1173.00000
  Found one species comparison        qtz      1.00000  -290.51416  -290.51528    1
  Found one species comparison        coes     1.00000  -290.51528  -290.51528    2
  Found one species comparison        st       1.00000  -279.82780  -290.51528    3
  Found one species comparison        apbo     1.00000  -271.49953  -290.51528    4
 253 coes               1.00   0.00   0.00   0.00   0.00   0.00   2.00
Number of non-zero components,phases,Gapp    2    1      -294.00384         2.98000      1273.00000
  Found one species comparison        qtz      1.00000  -294.02023  -294.00384    1
  Found one species comparison        coes     1.00000  -294.00384  -294.00384    2
  Found one species comparison        st       1.00000  -283.05982  -294.00384    3
  Found one species comparison        apbo     1.00000  -274.66208  -294.00384    4
 254 cats               1.00   0.00   0.00   1.00   2.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    1      -348.26956         1.72000      1573.00000
  Found one species comparison        cats     1.00000  -348.26956  -348.26956    1
  Found two species comparison        capv        co       1.00000     1.00000  -338.99121  -348.26956    2
  Found two species comparison        capv        alpv     1.00000     1.00000  -333.96243  -348.26956    3
  Found two species comparison        capv        appv     1.00000     1.00000  -318.86729  -348.26956    4
  Found two species comparison        co          gr       0.66667     0.33333  -348.24243  -348.26956    5
  Found two species comparison        gr          alpv     0.33333     0.66667  -344.88991  -348.26956    6
  Found two species comparison        gr          appv     0.33333     0.66667  -334.82648  -348.26956    7
 255 cats               1.00   0.00   0.00   1.00   2.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    1      -349.96550         2.26800      1673.00000
  Found one species comparison        cats     1.00000  -349.96550  -349.96550    1
  Found two species comparison        capv        co       1.00000     1.00000  -341.04318  -349.96550    2
  Found two species comparison        capv        alpv     1.00000     1.00000  -336.16292  -349.96550    3
  Found two species comparison        capv        appv     1.00000     1.00000  -321.37830  -349.96550    4
  Found two species comparison        co          gr       0.66667     0.33333  -349.94844  -349.96550    5
  Found two species comparison        gr          alpv     0.33333     0.66667  -346.69493  -349.96550    6
  Found two species comparison        gr          appv     0.33333     0.66667  -336.83852  -349.96550    7
 256 cats               1.00   0.00   0.00   1.00   2.00   0.00   6.00
Number of non-zero components,phases,Gapp    4    1      -351.58636         2.85100      1773.00000
  Found one species comparison        cats     1.00000  -351.58636  -351.58636    1
  Found two species comparison        capv        co       1.00000     1.00000  -343.05187  -351.58636    2
  Found two species comparison        capv        alpv     1.00000     1.00000  -338.32221  -351.58636    3
  Found two species comparison        capv        appv     1.00000     1.00000  -323.85361  -351.58636    4
  Found two species comparison        co          gr       0.66667     0.33333  -351.59223  -351.58636    5
  Found two species comparison        gr          alpv     0.33333     0.66667  -348.43913  -351.58636    6
  Found two species comparison        gr          appv     0.33333     0.66667  -338.79340  -351.58636    7
 257 grco               3.00   0.00   0.00   3.00   6.00   0.00  18.00
Number of non-zero components,phases,Gapp    4    2      -347.96012         1.76700      1573.00000
  Found one species comparison        cats     3.00000  -347.96496  -347.96012    1
  Found two species comparison        capv        co       3.00000     3.00000  -338.73386  -347.96012    2
  Found two species comparison        capv        alpv     3.00000     3.00000  -333.70714  -347.96012    3
  Found two species comparison        capv        appv     3.00000     3.00000  -318.61543  -347.96012    4
  Found two species comparison        co          gr       2.00000     1.00000  -347.96012  -347.96012    5
  Found two species comparison        gr          alpv     1.00000     2.00000  -344.60897  -347.96012    6
  Found two species comparison        gr          appv     1.00000     2.00000  -334.54783  -347.96012    7
 258 grco               3.00   0.00   0.00   3.00   6.00   0.00  18.00
Number of non-zero components,phases,Gapp    4    2      -349.60623         2.32500      1673.00000
  Found one species comparison        cats     3.00000  -349.59692  -349.60623    1
  Found two species comparison        capv        co       3.00000     3.00000  -340.73077  -349.60623    2
  Found two species comparison        capv        alpv     3.00000     3.00000  -335.85293  -349.60623    3
  Found two species comparison        capv        appv     3.00000     3.00000  -321.07222  -349.60623    4
  Found two species comparison        co          gr       2.00000     1.00000  -349.60623  -349.60623    5
  Found two species comparison        gr          alpv     1.00000     2.00000  -346.35433  -349.60623    6
  Found two species comparison        gr          appv     1.00000     2.00000  -336.50053  -349.60623    7
 259 grco               3.00   0.00   0.00   3.00   6.00   0.00  18.00
Number of non-zero components,phases,Gapp    4    2      -351.41823         2.88000      1773.00000
  Found one species comparison        cats     3.00000  -351.39928  -351.41823    1
  Found two species comparison        capv        co       3.00000     3.00000  -342.89278  -351.41823    2
  Found two species comparison        capv        alpv     3.00000     3.00000  -338.16431  -351.41823    3
  Found two species comparison        capv        appv     3.00000     3.00000  -323.69757  -351.41823    4
  Found two species comparison        co          gr       2.00000     1.00000  -351.41823  -351.41823    5
  Found two species comparison        gr          alpv     1.00000     2.00000  -348.26592  -351.41823    6
  Found two species comparison        gr          appv     1.00000     2.00000  -338.62143  -351.41823    7
 260 faqtz              2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -243.83884         1.10000      1073.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -243.83884  -243.83884    1
  Found two species comparison        fa          coes     1.00000     1.00000  -243.48779  -243.83884    2
  Found two species comparison        fa          st       1.00000     1.00000  -239.31302  -243.83884    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -236.77479  -243.83884    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -242.44334  -243.83884    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -242.09230  -243.83884    6
  Found two species comparison        fewa        st       1.00000     1.00000  -237.91753  -243.83884    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -235.37930  -243.83884    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -242.32876  -243.83884    9
  Found two species comparison        feri        coes     1.00000     1.00000  -241.97772  -243.83884   10
  Found two species comparison        feri        st       1.00000     1.00000  -237.80295  -243.83884   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -235.26472  -243.83884   12
  Found one species comparison        fs       1.00000  -243.82062  -243.83884   13
  Found one species comparison        fec2     1.00000  -243.31518  -243.83884   14
  Found one species comparison        feil     2.00000  -229.51582  -243.83884   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -238.88463  -243.83884   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -238.88487  -243.83884   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -238.71350  -243.83884   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -238.18254  -243.83884   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -238.18277  -243.83884   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -238.01140  -243.83884   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -229.83301  -243.83884   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -229.83325  -243.83884   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -229.66188  -243.83884   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -224.75654  -243.83884   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -224.75678  -243.83884   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -224.58541  -243.83884   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -238.97451  -243.83884   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -238.97474  -243.83884   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -238.80337  -243.83884   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -230.63169  -243.83884   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -230.63192  -243.83884   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -230.46055  -243.83884   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -231.95563  -243.83884   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -231.95587  -243.83884   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -231.78450  -243.83884   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -216.79600  -243.83884   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -216.79623  -243.83884   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -216.62486  -243.83884   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -241.69520  -243.83884   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -220.76539  -243.83884   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -241.29513  -243.83884   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -241.29531  -243.83884   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -241.16678  -243.83884   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -240.19549  -243.83884   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -240.19567  -243.83884   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -240.06715  -243.83884   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -238.27241  -243.83884   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -238.27265  -243.83884   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -238.10128  -243.83884   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -229.92959  -243.83884   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -229.92983  -243.83884   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -229.75846  -243.83884   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -231.25353  -243.83884   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -231.25377  -243.83884   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -231.08240  -243.83884   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -216.09390  -243.83884   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -216.09414  -243.83884   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -215.92277  -243.83884   59
  Found two species comparison        coes        wu       2.00000     0.50000  -240.99311  -243.83884   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -220.06330  -243.83884   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -240.59304  -243.83884   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -240.59322  -243.83884   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -240.46469  -243.83884   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -239.49340  -243.83884   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -239.49358  -243.83884   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -239.36505  -243.83884   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -229.92288  -243.83884   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -229.92312  -243.83884   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -229.75175  -243.83884   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -221.58006  -243.83884   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -221.58030  -243.83884   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -221.40893  -243.83884   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -222.90400  -243.83884   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -222.90424  -243.83884   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -222.73287  -243.83884   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -207.74437  -243.83884   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -207.74461  -243.83884   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -207.57324  -243.83884   79
  Found two species comparison        st          wu       2.00000     0.50000  -232.64358  -243.83884   80
  Found two species comparison        st          wuls     2.00000     0.50000  -211.71377  -243.83884   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -232.24351  -243.83884   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -232.24369  -243.83884   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -232.11516  -243.83884   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -231.14387  -243.83884   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -231.14405  -243.83884   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -231.01552  -243.83884   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -224.84642  -243.83884   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -224.84665  -243.83884   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -224.67528  -243.83884   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -216.50360  -243.83884   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -216.50384  -243.83884   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -216.33247  -243.83884   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -217.82754  -243.83884   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -217.82778  -243.83884   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -217.65641  -243.83884   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -202.66791  -243.83884   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -202.66814  -243.83884   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -202.49677  -243.83884   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -227.56711  -243.83884  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -206.63730  -243.83884  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -227.16704  -243.83884  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -227.16722  -243.83884  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -227.03869  -243.83884  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -226.06741  -243.83884  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -226.06758  -243.83884  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -225.93906  -243.83884  107
  Found one species comparison        fepv     2.00000  -221.75693  -243.83884  108
  Found one species comparison        flpv     2.00000  -195.69877  -243.83884  109
  Found one species comparison        fppv     2.00000  -216.75140  -243.83884  110
 261 faqtz              2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -245.70780         1.18000      1123.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -245.70780  -245.70780    1
  Found two species comparison        fa          coes     1.00000     1.00000  -245.35402  -245.70780    2
  Found two species comparison        fa          st       1.00000     1.00000  -241.16169  -245.70780    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -238.61410  -245.70780    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -244.30412  -245.70780    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -243.95034  -245.70780    6
  Found two species comparison        fewa        st       1.00000     1.00000  -239.75801  -245.70780    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -237.21042  -245.70780    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -244.17609  -245.70780    9
  Found two species comparison        feri        coes     1.00000     1.00000  -243.82232  -245.70780   10
  Found two species comparison        feri        st       1.00000     1.00000  -239.62999  -245.70780   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -237.08240  -245.70780   12
  Found one species comparison        fs       1.00000  -245.69780  -245.70780   13
  Found one species comparison        fec2     1.00000  -245.19365  -245.70780   14
  Found one species comparison        feil     2.00000  -231.33820  -245.70780   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -240.65580  -245.70780   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -240.65997  -245.70780   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -240.48248  -245.70780   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -239.94825  -245.70780   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -239.95243  -245.70780   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -239.77493  -245.70780   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -231.56359  -245.70780   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -231.56776  -245.70780   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -231.39027  -245.70780   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -226.46841  -245.70780   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -226.47259  -245.70780   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -226.29510  -245.70780   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -240.77152  -245.70780   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -240.77569  -245.70780   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -240.59820  -245.70780   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -232.34466  -245.70780   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -232.34884  -245.70780   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -232.17135  -245.70780   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -233.72795  -245.70780   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -233.73212  -245.70780   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -233.55463  -245.70780   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -218.52806  -245.70780   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -218.53223  -245.70780   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -218.35474  -245.70780   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -243.60305  -245.70780   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -222.49027  -245.70780   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -243.13449  -245.70780   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -243.13762  -245.70780   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -243.00450  -245.70780   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -242.04119  -245.70780   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -242.04432  -245.70780   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -241.91120  -245.70780   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -240.06397  -245.70780   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -240.06814  -245.70780   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -239.89065  -245.70780   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -231.63711  -245.70780   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -231.64129  -245.70780   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -231.46380  -245.70780   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -233.02040  -245.70780   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -233.02457  -245.70780   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -232.84708  -245.70780   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -217.82051  -245.70780   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -217.82468  -245.70780   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -217.64719  -245.70780   59
  Found two species comparison        coes        wu       2.00000     0.50000  -242.89550  -245.70780   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -221.78272  -245.70780   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -242.42694  -245.70780   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -242.43007  -245.70780   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -242.29695  -245.70780   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -241.33364  -245.70780   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -241.33677  -245.70780   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -241.20366  -245.70780   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -231.67930  -245.70780   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -231.68348  -245.70780   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -231.50599  -245.70780   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -223.25245  -245.70780   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -223.25662  -245.70780   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -223.07913  -245.70780   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -224.63573  -245.70780   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -224.63991  -245.70780   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -224.46241  -245.70780   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -209.43584  -245.70780   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -209.44002  -245.70780   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -209.26253  -245.70780   79
  Found two species comparison        st          wu       2.00000     0.50000  -234.51084  -245.70780   80
  Found two species comparison        st          wuls     2.00000     0.50000  -213.39806  -245.70780   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -234.04228  -245.70780   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -234.04541  -245.70780   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -233.91229  -245.70780   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -232.94898  -245.70780   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -232.95211  -245.70780   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -232.81899  -245.70780   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -226.58413  -245.70780   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -226.58830  -245.70780   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -226.41081  -245.70780   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -218.15728  -245.70780   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -218.16145  -245.70780   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -217.98396  -245.70780   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -219.54056  -245.70780   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -219.54473  -245.70780   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -219.36724  -245.70780   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -204.34067  -245.70780   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -204.34484  -245.70780   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -204.16735  -245.70780   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -229.41566  -245.70780  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -208.30289  -245.70780  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -228.94710  -245.70780  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -228.95024  -245.70780  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -228.81712  -245.70780  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -227.85381  -245.70780  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -227.85694  -245.70780  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -227.72382  -245.70780  107
  Found one species comparison        fepv     2.00000  -223.66917  -245.70780  108
  Found one species comparison        flpv     2.00000  -197.57581  -245.70780  109
  Found one species comparison        fppv     2.00000  -218.60941  -245.70780  110
 262 faqtz              2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -248.05740         1.20000      1173.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -248.05740  -248.05740    1
  Found two species comparison        fa          coes     1.00000     1.00000  -247.68148  -248.05740    2
  Found two species comparison        fa          st       1.00000     1.00000  -243.43402  -248.05740    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -240.87481  -248.05740    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -246.62448  -248.05740    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -246.24856  -248.05740    6
  Found two species comparison        fewa        st       1.00000     1.00000  -242.00109  -248.05740    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -239.44189  -248.05740    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -246.47659  -248.05740    9
  Found two species comparison        feri        coes     1.00000     1.00000  -246.10066  -248.05740   10
  Found two species comparison        feri        st       1.00000     1.00000  -241.85320  -248.05740   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -239.29399  -248.05740   12
  Found one species comparison        fs       1.00000  -248.02973  -248.05740   13
  Found one species comparison        fec2     1.00000  -247.51909  -248.05740   14
  Found one species comparison        feil     2.00000  -233.54360  -248.05740   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -242.92323  -248.05740   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -242.92960  -248.05740   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -242.74648  -248.05740   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -242.17139  -248.05740   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -242.17775  -248.05740   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -241.99463  -248.05740   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -233.67646  -248.05740   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -233.68282  -248.05740   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -233.49971  -248.05740   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -228.55804  -248.05740   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -228.56441  -248.05740   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -228.38129  -248.05740   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -243.06850  -248.05740   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -243.07486  -248.05740   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -242.89174  -248.05740   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -234.54256  -248.05740   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -234.54892  -248.05740   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -234.36581  -248.05740   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -235.98790  -248.05740   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -235.99426  -248.05740   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -235.81115  -248.05740   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -220.74219  -248.05740   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -220.74855  -248.05740   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -220.56543  -248.05740   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -246.00275  -248.05740   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -224.68937  -248.05740   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -245.47571  -248.05740   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -245.48048  -248.05740   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -245.34314  -248.05740   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -244.38155  -248.05740   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -244.38632  -248.05740   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -244.24899  -248.05740   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -242.31665  -248.05740   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -242.32301  -248.05740   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -242.13990  -248.05740   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -233.79071  -248.05740   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -233.79707  -248.05740   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -233.61396  -248.05740   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -235.23605  -248.05740   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -235.24241  -248.05740   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -235.05930  -248.05740   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -219.99034  -248.05740   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -219.99670  -248.05740   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -219.81359  -248.05740   59
  Found two species comparison        coes        wu       2.00000     0.50000  -245.25090  -248.05740   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -223.93752  -248.05740   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -244.72386  -248.05740   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -244.72863  -248.05740   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -244.59130  -248.05740   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -243.62970  -248.05740   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -243.63447  -248.05740   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -243.49714  -248.05740   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -233.82172  -248.05740   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -233.82808  -248.05740   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -233.64497  -248.05740   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -225.29578  -248.05740   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -225.30215  -248.05740   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -225.11903  -248.05740   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -226.74112  -248.05740   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -226.74749  -248.05740   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -226.56437  -248.05740   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -211.49541  -248.05740   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -211.50177  -248.05740   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -211.31866  -248.05740   79
  Found two species comparison        st          wu       2.00000     0.50000  -236.75598  -248.05740   80
  Found two species comparison        st          wuls     2.00000     0.50000  -215.44260  -248.05740   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -236.22893  -248.05740   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -236.23370  -248.05740   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -236.09637  -248.05740   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -235.13478  -248.05740   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -235.13955  -248.05740   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -235.00221  -248.05740   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -228.70331  -248.05740   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -228.70967  -248.05740   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -228.52656  -248.05740   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -220.17737  -248.05740   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -220.18373  -248.05740   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -220.00062  -248.05740   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -221.62271  -248.05740   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -221.62907  -248.05740   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -221.44596  -248.05740   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -206.37700  -248.05740   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -206.38336  -248.05740   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -206.20025  -248.05740   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -231.63756  -248.05740  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -210.32418  -248.05740  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -231.11052  -248.05740  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -231.11529  -248.05740  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -230.97795  -248.05740  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -230.01636  -248.05740  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -230.02113  -248.05740  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -229.88380  -248.05740  107
  Found one species comparison        fepv     2.00000  -225.94720  -248.05740  108
  Found one species comparison        flpv     2.00000  -199.81473  -248.05740  109
  Found one species comparison        fppv     2.00000  -220.82675  -248.05740  110
 263 faqtz              2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2      -251.78639         1.40000      1273.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -251.78639  -251.78639    1
  Found two species comparison        fa          coes     1.00000     1.00000  -251.41035  -251.78639    2
  Found two species comparison        fa          st       1.00000     1.00000  -247.15481  -251.78639    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -244.57799  -251.78639    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -250.35173  -251.78639    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -249.97570  -251.78639    6
  Found two species comparison        fewa        st       1.00000     1.00000  -245.72015  -251.78639    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -243.14333  -251.78639    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -250.18078  -251.78639    9
  Found two species comparison        feri        coes     1.00000     1.00000  -249.80475  -251.78639   10
  Found two species comparison        feri        st       1.00000     1.00000  -245.54920  -251.78639   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -242.97239  -251.78639   12
  Found one species comparison        fs       1.00000  -251.78271  -251.78639   13
  Found one species comparison        fec2     1.00000  -251.28477  -251.78639   14
  Found one species comparison        feil     2.00000  -237.23853  -251.78639   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -246.46522  -251.78639   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -246.47397  -251.78639   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -246.28266  -251.78639   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -245.71315  -251.78639   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -245.72190  -251.78639   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -245.53060  -251.78639   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -237.20206  -251.78639   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -237.21080  -251.78639   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -237.01950  -251.78639   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -232.04843  -251.78639   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -232.05718  -251.78639   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -231.86588  -251.78639   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -246.66094  -251.78639   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -246.66969  -251.78639   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -246.47839  -251.78639   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -237.97513  -251.78639   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -237.98388  -251.78639   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -237.79258  -251.78639   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -239.54183  -251.78639   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -239.55058  -251.78639   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -239.35928  -251.78639   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -224.22003  -251.78639   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -224.22878  -251.78639   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -224.03748  -251.78639   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -249.81015  -251.78639   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -228.14212  -251.78639   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -249.15346  -251.78639   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -249.16002  -251.78639   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -249.01654  -251.78639   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -248.07901  -251.78639   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -248.08557  -251.78639   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -247.94210  -251.78639   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -245.90888  -251.78639   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -245.91762  -251.78639   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -245.72632  -251.78639   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -237.22306  -251.78639   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -237.23181  -251.78639   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -237.04051  -251.78639   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -238.78976  -251.78639   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -238.79851  -251.78639   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -238.60721  -251.78639   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -223.46797  -251.78639   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -223.47671  -251.78639   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -223.28541  -251.78639   59
  Found two species comparison        coes        wu       2.00000     0.50000  -249.05809  -251.78639   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -227.39005  -251.78639   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -248.40139  -251.78639   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -248.40795  -251.78639   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -248.26447  -251.78639   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -247.32695  -251.78639   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -247.33351  -251.78639   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -247.19003  -251.78639   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -237.39778  -251.78639   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -237.40653  -251.78639   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -237.21523  -251.78639   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -228.71197  -251.78639   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -228.72072  -251.78639   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -228.52942  -251.78639   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -230.27867  -251.78639   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -230.28742  -251.78639   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -230.09612  -251.78639   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -214.95687  -251.78639   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -214.96562  -251.78639   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -214.77432  -251.78639   79
  Found two species comparison        st          wu       2.00000     0.50000  -240.54699  -251.78639   80
  Found two species comparison        st          wuls     2.00000     0.50000  -218.87896  -251.78639   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -239.89029  -251.78639   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -239.89685  -251.78639   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -239.75338  -251.78639   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -238.81585  -251.78639   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -238.82241  -251.78639   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -238.67894  -251.78639   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -232.24415  -251.78639   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -232.25290  -251.78639   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -232.06160  -251.78639   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -223.55834  -251.78639   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -223.56709  -251.78639   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -223.37579  -251.78639   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -225.12504  -251.78639   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -225.13379  -251.78639   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -224.94249  -251.78639   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -209.80324  -251.78639   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -209.81199  -251.78639   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -209.62069  -251.78639   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -235.39336  -251.78639  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -213.72533  -251.78639  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -234.73667  -251.78639  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -234.74323  -251.78639  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -234.59975  -251.78639  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -233.66222  -251.78639  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -233.66879  -251.78639  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -233.52531  -251.78639  107
  Found one species comparison        fepv     2.00000  -229.83749  -251.78639  108
  Found one species comparison        flpv     2.00000  -203.63835  -251.78639  109
  Found one species comparison        fppv     2.00000  -224.61745  -251.78639  110
 264 fs                 2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -247.03031         1.35000      1173.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -247.00068  -247.03031    1
  Found two species comparison        fa          coes     1.00000     1.00000  -246.66667  -247.03031    2
  Found two species comparison        fa          st       1.00000     1.00000  -242.51379  -247.03031    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -239.96006  -247.03031    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -245.62058  -247.03031    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -245.28657  -247.03031    6
  Found two species comparison        fewa        st       1.00000     1.00000  -241.13369  -247.03031    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -238.57996  -247.03031    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -245.48853  -247.03031    9
  Found two species comparison        feri        coes     1.00000     1.00000  -245.15451  -247.03031   10
  Found two species comparison        feri        st       1.00000     1.00000  -241.00163  -247.03031   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -238.44790  -247.03031   12
  Found one species comparison        fs       1.00000  -247.03031  -247.03031   13
  Found one species comparison        fec2     1.00000  -246.54112  -247.03031   14
  Found one species comparison        feil     2.00000  -232.72473  -247.03031   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -241.83978  -247.03031   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -241.84687  -247.03031   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -241.66435  -247.03031   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -241.17174  -247.03031   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -241.17884  -247.03031   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -240.99632  -247.03031   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -232.86598  -247.03031   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -232.87308  -247.03031   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -232.69056  -247.03031   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -227.75852  -247.03031   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -227.76562  -247.03031   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -227.58310  -247.03031   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -241.97637  -247.03031   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -241.98346  -247.03031   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -241.80094  -247.03031   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -233.48720  -247.03031   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -233.49429  -247.03031   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -233.31177  -247.03031   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -234.92767  -247.03031   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -234.93476  -247.03031   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -234.75224  -247.03031   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -219.69616  -247.03031   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -219.70325  -247.03031   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -219.52073  -247.03031   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -244.92489  -247.03031   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -223.65536  -247.03031   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -244.38012  -247.03031   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -244.38544  -247.03031   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -244.24855  -247.03031   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -243.30493  -247.03031   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -243.31025  -247.03031   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -243.17336  -247.03031   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -241.30833  -247.03031   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -241.31543  -247.03031   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -241.13290  -247.03031   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -232.81916  -247.03031   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -232.82625  -247.03031   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -232.64373  -247.03031   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -234.25963  -247.03031   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -234.26673  -247.03031   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -234.08421  -247.03031   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -219.02812  -247.03031   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -219.03521  -247.03031   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -218.85269  -247.03031   59
  Found two species comparison        coes        wu       2.00000     0.50000  -244.25685  -247.03031   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -222.98732  -247.03031   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -243.71209  -247.03031   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -243.71741  -247.03031   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -243.58052  -247.03031   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -242.63689  -247.03031   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -242.64221  -247.03031   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -242.50532  -247.03031   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -233.00257  -247.03031   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -233.00967  -247.03031   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -232.82715  -247.03031   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -224.51340  -247.03031   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -224.52050  -247.03031   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -224.33797  -247.03031   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -225.95387  -247.03031   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -225.96097  -247.03031   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -225.77845  -247.03031   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -210.72236  -247.03031   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -210.72946  -247.03031   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -210.54693  -247.03031   79
  Found two species comparison        st          wu       2.00000     0.50000  -235.95110  -247.03031   80
  Found two species comparison        st          wuls     2.00000     0.50000  -214.68156  -247.03031   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -235.40633  -247.03031   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -235.41165  -247.03031   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -235.27476  -247.03031   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -234.33113  -247.03031   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -234.33645  -247.03031   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -234.19956  -247.03031   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -227.89511  -247.03031   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -227.90221  -247.03031   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -227.71969  -247.03031   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -219.40594  -247.03031   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -219.41304  -247.03031   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -219.23051  -247.03031   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -220.84641  -247.03031   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -220.85351  -247.03031   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -220.67099  -247.03031   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -205.61490  -247.03031   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -205.62199  -247.03031   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -205.43947  -247.03031   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -230.84364  -247.03031  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -209.57410  -247.03031  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -230.29887  -247.03031  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -230.30419  -247.03031  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -230.16730  -247.03031  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -229.22367  -247.03031  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -229.22899  -247.03031  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -229.09210  -247.03031  107
  Found one species comparison        fepv     2.00000  -225.17320  -247.03031  108
  Found one species comparison        flpv     2.00000  -199.05101  -247.03031  109
  Found one species comparison        fppv     2.00000  -220.07083  -247.03031  110
 265 fs                 2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -251.44909         1.45000      1273.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -251.43381  -251.44909    1
  Found two species comparison        fa          coes     1.00000     1.00000  -251.07159  -251.44909    2
  Found two species comparison        fa          st       1.00000     1.00000  -246.84735  -251.44909    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -244.27237  -251.44909    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -250.01680  -251.44909    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -249.65457  -251.44909    6
  Found two species comparison        fewa        st       1.00000     1.00000  -245.43033  -251.44909    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -242.85536  -251.44909    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -249.85121  -251.44909    9
  Found two species comparison        feri        coes     1.00000     1.00000  -249.48898  -251.44909   10
  Found two species comparison        feri        st       1.00000     1.00000  -245.26474  -251.44909   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -242.68977  -251.44909   12
  Found one species comparison        fs       1.00000  -251.44909  -251.44909   13
  Found one species comparison        fec2     1.00000  -250.95791  -251.44909   14
  Found one species comparison        feil     2.00000  -236.96497  -251.44909   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -246.10408  -251.44909   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -246.11306  -251.44909   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -245.92185  -251.44909   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -245.37963  -251.44909   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -245.38861  -251.44909   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -245.19740  -251.44909   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -236.93115  -251.44909   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -236.94012  -251.44909   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -236.74892  -251.44909   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -231.78119  -251.44909   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -231.79017  -251.44909   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -231.59896  -251.44909   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -246.29680  -251.44909   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -246.30578  -251.44909   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -246.11457  -251.44909   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -237.62339  -251.44909   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -237.63236  -251.44909   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -237.44116  -251.44909   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -239.18828  -251.44909   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -239.19726  -251.44909   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -239.00605  -251.44909   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -223.87120  -251.44909   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -223.88018  -251.44909   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -223.68897  -251.44909   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -249.45088  -251.44909   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -227.79753  -251.44909   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -248.78834  -251.44909   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -248.79508  -251.44909   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -248.65167  -251.44909   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -247.72013  -251.44909   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -247.72686  -251.44909   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -247.58346  -251.44909   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -245.57235  -251.44909   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -245.58133  -251.44909   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -245.39012  -251.44909   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -236.89894  -251.44909   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -236.90792  -251.44909   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -236.71671  -251.44909   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -238.46384  -251.44909   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -238.47281  -251.44909   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -238.28161  -251.44909   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -223.14675  -251.44909   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -223.15573  -251.44909   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -222.96452  -251.44909   59
  Found two species comparison        coes        wu       2.00000     0.50000  -248.72643  -251.44909   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -227.07308  -251.44909   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -248.06389  -251.44909   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -248.07063  -251.44909   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -247.92722  -251.44909   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -246.99568  -251.44909   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -247.00241  -251.44909   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -246.85901  -251.44909   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -237.12387  -251.44909   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -237.13284  -251.44909   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -236.94164  -251.44909   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -228.45045  -251.44909   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -228.45943  -251.44909   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -228.26822  -251.44909   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -230.01535  -251.44909   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -230.02433  -251.44909   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -229.83312  -251.44909   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -214.69827  -251.44909   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -214.70725  -251.44909   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -214.51604  -251.44909   79
  Found two species comparison        st          wu       2.00000     0.50000  -240.27794  -251.44909   80
  Found two species comparison        st          wuls     2.00000     0.50000  -218.62460  -251.44909   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -239.61541  -251.44909   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -239.62214  -251.44909   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -239.47874  -251.44909   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -238.54719  -251.44909   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -238.55393  -251.44909   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -238.41052  -251.44909   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -231.97392  -251.44909   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -231.98289  -251.44909   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -231.79169  -251.44909   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -223.30050  -251.44909   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -223.30948  -251.44909   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -223.11827  -251.44909   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -224.86540  -251.44909   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -224.87438  -251.44909   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -224.68317  -251.44909   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -209.54832  -251.44909   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -209.55730  -251.44909   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -209.36609  -251.44909   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -235.12799  -251.44909  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -213.47465  -251.44909  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -234.46546  -251.44909  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -234.47219  -251.44909  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -234.32879  -251.44909  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -233.39724  -251.44909  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -233.40398  -251.44909  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -233.26057  -251.44909  107
  Found one species comparison        fepv     2.00000  -229.57887  -251.44909  108
  Found one species comparison        flpv     2.00000  -203.38315  -251.44909  109
  Found one species comparison        fppv     2.00000  -224.36474  -251.44909  110
 266 fs                 2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -253.53251         1.53000      1323.00000
  Found two species comparison        fa          qtz      1.00000     1.00000  -253.51377  -253.53251    1
  Found two species comparison        fa          coes     1.00000     1.00000  -253.14557  -253.53251    2
  Found two species comparison        fa          st       1.00000     1.00000  -248.90515  -253.53251    3
  Found two species comparison        fa          apbo     1.00000     1.00000  -246.32055  -253.53251    4
  Found two species comparison        fewa        qtz      1.00000     1.00000  -252.08903  -253.53251    5
  Found two species comparison        fewa        coes     1.00000     1.00000  -251.72082  -253.53251    6
  Found two species comparison        fewa        st       1.00000     1.00000  -247.48040  -253.53251    7
  Found two species comparison        fewa        apbo     1.00000     1.00000  -244.89581  -253.53251    8
  Found two species comparison        feri        qtz      1.00000     1.00000  -251.90971  -253.53251    9
  Found two species comparison        feri        coes     1.00000     1.00000  -251.54151  -253.53251   10
  Found two species comparison        feri        st       1.00000     1.00000  -247.30109  -253.53251   11
  Found two species comparison        feri        apbo     1.00000     1.00000  -244.71649  -253.53251   12
  Found one species comparison        fs       1.00000  -253.53251  -253.53251   13
  Found one species comparison        fec2     1.00000  -253.04587  -253.53251   14
  Found one species comparison        feil     2.00000  -238.99624  -253.53251   15
Found three species comparison        hem         qtz         fea      0.66667     2.00000     0.66667  -248.09683  -253.53251   16
Found three species comparison        hem         qtz         feg      0.66667     2.00000     0.66667  -248.10598  -253.53251   17
Found three species comparison        hem         qtz         fee      0.66667     2.00000     0.66667  -247.91183  -253.53251   18
Found three species comparison        hem         coes        fea      0.66667     2.00000     0.66667  -247.36041  -253.53251   19
Found three species comparison        hem         coes        feg      0.66667     2.00000     0.66667  -247.36956  -253.53251   20
Found three species comparison        hem         coes        fee      0.66667     2.00000     0.66667  -247.17542  -253.53251   21
Found three species comparison        hem         st          fea      0.66667     2.00000     0.66667  -238.87958  -253.53251   22
Found three species comparison        hem         st          feg      0.66667     2.00000     0.66667  -238.88873  -253.53251   23
Found three species comparison        hem         st          fee      0.66667     2.00000     0.66667  -238.69459  -253.53251   24
Found three species comparison        hem         apbo        fea      0.66667     2.00000     0.66667  -233.71039  -253.53251   25
Found three species comparison        hem         apbo        feg      0.66667     2.00000     0.66667  -233.71954  -253.53251   26
Found three species comparison        hem         apbo        fee      0.66667     2.00000     0.66667  -233.52539  -253.53251   27
Found three species comparison        qtz         hepv        fea      2.00000     0.66667     0.66667  -248.31619  -253.53251   28
Found three species comparison        qtz         hepv        feg      2.00000     0.66667     0.66667  -248.32534  -253.53251   29
Found three species comparison        qtz         hepv        fee      2.00000     0.66667     0.66667  -248.13119  -253.53251   30
Found three species comparison        qtz         hlpv        fea      2.00000     0.66667     0.66667  -239.55754  -253.53251   31
Found three species comparison        qtz         hlpv        feg      2.00000     0.66667     0.66667  -239.56669  -253.53251   32
Found three species comparison        qtz         hlpv        fee      2.00000     0.66667     0.66667  -239.37255  -253.53251   33
Found three species comparison        qtz         hppv        fea      2.00000     0.66667     0.66667  -241.18494  -253.53251   34
Found three species comparison        qtz         hppv        feg      2.00000     0.66667     0.66667  -241.19409  -253.53251   35
Found three species comparison        qtz         hppv        fee      2.00000     0.66667     0.66667  -240.99994  -253.53251   36
Found three species comparison        qtz         lppv        fea      2.00000     0.66667     0.66667  -225.82814  -253.53251   37
Found three species comparison        qtz         lppv        feg      2.00000     0.66667     0.66667  -225.83729  -253.53251   38
Found three species comparison        qtz         lppv        fee      2.00000     0.66667     0.66667  -225.64314  -253.53251   39
  Found two species comparison        qtz         wu       2.00000     0.50000  -251.57347  -253.53251   40
  Found two species comparison        qtz         wuls     2.00000     0.50000  -229.73688  -253.53251   41
Found three species comparison        qtz         mag         fea      2.00000     0.50000     0.50000  -250.85083  -253.53251   42
Found three species comparison        qtz         mag         feg      2.00000     0.50000     0.50000  -250.85769  -253.53251   43
Found three species comparison        qtz         mag         fee      2.00000     0.50000     0.50000  -250.71208  -253.53251   44
Found three species comparison        qtz         hmag        fea      2.00000     0.50000     0.50000  -249.79049  -253.53251   45
Found three species comparison        qtz         hmag        feg      2.00000     0.50000     0.50000  -249.79735  -253.53251   46
Found three species comparison        qtz         hmag        fee      2.00000     0.50000     0.50000  -249.65174  -253.53251   47
Found three species comparison        coes        hepv        fea      2.00000     0.66667     0.66667  -247.57977  -253.53251   48
Found three species comparison        coes        hepv        feg      2.00000     0.66667     0.66667  -247.58892  -253.53251   49
Found three species comparison        coes        hepv        fee      2.00000     0.66667     0.66667  -247.39478  -253.53251   50
Found three species comparison        coes        hlpv        fea      2.00000     0.66667     0.66667  -238.82113  -253.53251   51
Found three species comparison        coes        hlpv        feg      2.00000     0.66667     0.66667  -238.83028  -253.53251   52
Found three species comparison        coes        hlpv        fee      2.00000     0.66667     0.66667  -238.63613  -253.53251   53
Found three species comparison        coes        hppv        fea      2.00000     0.66667     0.66667  -240.44852  -253.53251   54
Found three species comparison        coes        hppv        feg      2.00000     0.66667     0.66667  -240.45767  -253.53251   55
Found three species comparison        coes        hppv        fee      2.00000     0.66667     0.66667  -240.26353  -253.53251   56
Found three species comparison        coes        lppv        fea      2.00000     0.66667     0.66667  -225.09172  -253.53251   57
Found three species comparison        coes        lppv        feg      2.00000     0.66667     0.66667  -225.10087  -253.53251   58
Found three species comparison        coes        lppv        fee      2.00000     0.66667     0.66667  -224.90673  -253.53251   59
  Found two species comparison        coes        wu       2.00000     0.50000  -250.83706  -253.53251   60
  Found two species comparison        coes        wuls     2.00000     0.50000  -229.00047  -253.53251   61
Found three species comparison        coes        mag         fea      2.00000     0.50000     0.50000  -250.11441  -253.53251   62
Found three species comparison        coes        mag         feg      2.00000     0.50000     0.50000  -250.12128  -253.53251   63
Found three species comparison        coes        mag         fee      2.00000     0.50000     0.50000  -249.97567  -253.53251   64
Found three species comparison        coes        hmag        fea      2.00000     0.50000     0.50000  -249.05407  -253.53251   65
Found three species comparison        coes        hmag        feg      2.00000     0.50000     0.50000  -249.06094  -253.53251   66
Found three species comparison        coes        hmag        fee      2.00000     0.50000     0.50000  -248.91533  -253.53251   67
Found three species comparison        st          hepv        fea      2.00000     0.66667     0.66667  -239.09894  -253.53251   68
Found three species comparison        st          hepv        feg      2.00000     0.66667     0.66667  -239.10809  -253.53251   69
Found three species comparison        st          hepv        fee      2.00000     0.66667     0.66667  -238.91395  -253.53251   70
Found three species comparison        st          hlpv        fea      2.00000     0.66667     0.66667  -230.34030  -253.53251   71
Found three species comparison        st          hlpv        feg      2.00000     0.66667     0.66667  -230.34945  -253.53251   72
Found three species comparison        st          hlpv        fee      2.00000     0.66667     0.66667  -230.15530  -253.53251   73
Found three species comparison        st          hppv        fea      2.00000     0.66667     0.66667  -231.96769  -253.53251   74
Found three species comparison        st          hppv        feg      2.00000     0.66667     0.66667  -231.97684  -253.53251   75
Found three species comparison        st          hppv        fee      2.00000     0.66667     0.66667  -231.78270  -253.53251   76
Found three species comparison        st          lppv        fea      2.00000     0.66667     0.66667  -216.61089  -253.53251   77
Found three species comparison        st          lppv        feg      2.00000     0.66667     0.66667  -216.62004  -253.53251   78
Found three species comparison        st          lppv        fee      2.00000     0.66667     0.66667  -216.42590  -253.53251   79
  Found two species comparison        st          wu       2.00000     0.50000  -242.35623  -253.53251   80
  Found two species comparison        st          wuls     2.00000     0.50000  -220.51964  -253.53251   81
Found three species comparison        st          mag         fea      2.00000     0.50000     0.50000  -241.63358  -253.53251   82
Found three species comparison        st          mag         feg      2.00000     0.50000     0.50000  -241.64045  -253.53251   83
Found three species comparison        st          mag         fee      2.00000     0.50000     0.50000  -241.49484  -253.53251   84
Found three species comparison        st          hmag        fea      2.00000     0.50000     0.50000  -240.57324  -253.53251   85
Found three species comparison        st          hmag        feg      2.00000     0.50000     0.50000  -240.58011  -253.53251   86
Found three species comparison        st          hmag        fee      2.00000     0.50000     0.50000  -240.43450  -253.53251   87
Found three species comparison        apbo        hepv        fea      2.00000     0.66667     0.66667  -233.92975  -253.53251   88
Found three species comparison        apbo        hepv        feg      2.00000     0.66667     0.66667  -233.93890  -253.53251   89
Found three species comparison        apbo        hepv        fee      2.00000     0.66667     0.66667  -233.74475  -253.53251   90
Found three species comparison        apbo        hlpv        fea      2.00000     0.66667     0.66667  -225.17110  -253.53251   91
Found three species comparison        apbo        hlpv        feg      2.00000     0.66667     0.66667  -225.18025  -253.53251   92
Found three species comparison        apbo        hlpv        fee      2.00000     0.66667     0.66667  -224.98611  -253.53251   93
Found three species comparison        apbo        hppv        fea      2.00000     0.66667     0.66667  -226.79850  -253.53251   94
Found three species comparison        apbo        hppv        feg      2.00000     0.66667     0.66667  -226.80765  -253.53251   95
Found three species comparison        apbo        hppv        fee      2.00000     0.66667     0.66667  -226.61350  -253.53251   96
Found three species comparison        apbo        lppv        fea      2.00000     0.66667     0.66667  -211.44170  -253.53251   97
Found three species comparison        apbo        lppv        feg      2.00000     0.66667     0.66667  -211.45085  -253.53251   98
Found three species comparison        apbo        lppv        fee      2.00000     0.66667     0.66667  -211.25670  -253.53251   99
  Found two species comparison        apbo        wu       2.00000     0.50000  -237.18703  -253.53251  100
  Found two species comparison        apbo        wuls     2.00000     0.50000  -215.35044  -253.53251  101
Found three species comparison        apbo        mag         fea      2.00000     0.50000     0.50000  -236.46439  -253.53251  102
Found three species comparison        apbo        mag         feg      2.00000     0.50000     0.50000  -236.47125  -253.53251  103
Found three species comparison        apbo        mag         fee      2.00000     0.50000     0.50000  -236.32564  -253.53251  104
Found three species comparison        apbo        hmag        fea      2.00000     0.50000     0.50000  -235.40405  -253.53251  105
Found three species comparison        apbo        hmag        feg      2.00000     0.50000     0.50000  -235.41091  -253.53251  106
Found three species comparison        apbo        hmag        fee      2.00000     0.50000     0.50000  -235.26530  -253.53251  107
  Found one species comparison        fepv     2.00000  -231.70288  -253.53251  108
  Found one species comparison        flpv     2.00000  -205.47271  -253.53251  109
  Found one species comparison        fppv     2.00000  -226.43780  -253.53251  110
 267 ky                 1.00   0.00   0.00   0.00   2.00   0.00   5.00
Number of non-zero components,phases,Gapp    3    1      -320.98650         0.82000      1073.00000
  Found two species comparison        co          qtz      1.00000     1.00000  -320.95205  -320.98650    1
  Found two species comparison        co          coes     1.00000     1.00000  -320.41709  -320.98650    2
  Found two species comparison        co          st       1.00000     1.00000  -314.97557  -320.98650    3
  Found two species comparison        co          apbo     1.00000     1.00000  -311.79005  -320.98650    4
  Found two species comparison        qtz         alpv     1.00000     1.00000  -313.87027  -320.98650    5
  Found two species comparison        qtz         appv     1.00000     1.00000  -293.32976  -320.98650    6
  Found two species comparison        coes        alpv     1.00000     1.00000  -313.33530  -320.98650    7
  Found two species comparison        coes        appv     1.00000     1.00000  -292.79480  -320.98650    8
  Found two species comparison        st          alpv     1.00000     1.00000  -307.89378  -320.98650    9
  Found two species comparison        st          appv     1.00000     1.00000  -287.35328  -320.98650   10
  Found two species comparison        apbo        alpv     1.00000     1.00000  -304.70827  -320.98650   11
  Found two species comparison        apbo        appv     1.00000     1.00000  -284.16777  -320.98650   12
  Found one species comparison        ky       1.00000  -320.98650  -320.98650   13
 268 qtzco              1.00   0.00   0.00   0.00   2.00   0.00   5.00
Number of non-zero components,phases,Gapp    3    2      -321.38481         0.75000      1073.00000
  Found two species comparison        co          qtz      1.00000     1.00000  -321.38481  -321.38481    1
  Found two species comparison        co          coes     1.00000     1.00000  -320.82488  -321.38481    2
  Found two species comparison        co          st       1.00000     1.00000  -315.32737  -321.38481    3
  Found two species comparison        co          apbo     1.00000     1.00000  -312.13866  -321.38481    4
  Found two species comparison        qtz         alpv     1.00000     1.00000  -314.29849  -321.38481    5
  Found two species comparison        qtz         appv     1.00000     1.00000  -293.74994  -321.38481    6
  Found two species comparison        coes        alpv     1.00000     1.00000  -313.73856  -321.38481    7
  Found two species comparison        coes        appv     1.00000     1.00000  -293.19001  -321.38481    8
  Found two species comparison        st          alpv     1.00000     1.00000  -308.24105  -321.38481    9
  Found two species comparison        st          appv     1.00000     1.00000  -287.69250  -321.38481   10
  Found two species comparison        apbo        alpv     1.00000     1.00000  -305.05234  -321.38481   11
  Found two species comparison        apbo        appv     1.00000     1.00000  -284.50380  -321.38481   12
  Found one species comparison        ky       1.00000  -321.37865  -321.38481   13
 269 qtzco              1.00   0.00   0.00   0.00   2.00   0.00   5.00
Number of non-zero components,phases,Gapp    3    2      -321.69407         0.70000      1073.00000
  Found two species comparison        co          qtz      1.00000     1.00000  -321.69407  -321.69407    1
  Found two species comparison        co          coes     1.00000     1.00000  -321.11627  -321.69407    2
  Found two species comparison        co          st       1.00000     1.00000  -315.57871  -321.69407    3
  Found two species comparison        co          apbo     1.00000     1.00000  -312.38773  -321.69407    4
  Found two species comparison        qtz         alpv     1.00000     1.00000  -314.60451  -321.69407    5
  Found two species comparison        qtz         appv     1.00000     1.00000  -294.05021  -321.69407    6
  Found two species comparison        coes        alpv     1.00000     1.00000  -314.02671  -321.69407    7
  Found two species comparison        coes        appv     1.00000     1.00000  -293.47242  -321.69407    8
  Found two species comparison        st          alpv     1.00000     1.00000  -308.48915  -321.69407    9
  Found two species comparison        st          appv     1.00000     1.00000  -287.93486  -321.69407   10
  Found two species comparison        apbo        alpv     1.00000     1.00000  -305.29817  -321.69407   11
  Found two species comparison        apbo        appv     1.00000     1.00000  -284.74388  -321.69407   12
  Found one species comparison        ky       1.00000  -321.65887  -321.69407   13
 270 ky                 1.00   0.00   0.00   0.00   2.00   0.00   5.00
Number of non-zero components,phases,Gapp    3    1      -321.09852         0.80000      1073.00000
  Found two species comparison        co          qtz      1.00000     1.00000  -321.07567  -321.09852    1
  Found two species comparison        co          coes     1.00000     1.00000  -320.53358  -321.09852    2
  Found two species comparison        co          st       1.00000     1.00000  -315.07607  -321.09852    3
  Found two species comparison        co          apbo     1.00000     1.00000  -311.88965  -321.09852    4
  Found two species comparison        qtz         alpv     1.00000     1.00000  -313.99259  -321.09852    5
  Found two species comparison        qtz         appv     1.00000     1.00000  -293.44979  -321.09852    6
  Found two species comparison        coes        alpv     1.00000     1.00000  -313.45050  -321.09852    7
  Found two species comparison        coes        appv     1.00000     1.00000  -292.90770  -321.09852    8
  Found two species comparison        st          alpv     1.00000     1.00000  -307.99299  -321.09852    9
  Found two species comparison        st          appv     1.00000     1.00000  -287.45019  -321.09852   10
  Found two species comparison        apbo        alpv     1.00000     1.00000  -304.80657  -321.09852   11
  Found two species comparison        apbo        appv     1.00000     1.00000  -284.26376  -321.09852   12
  Found one species comparison        ky       1.00000  -321.09852  -321.09852   13
 271 qtzco              1.00   0.00   0.00   0.00   2.00   0.00   5.00
Number of non-zero components,phases,Gapp    3    2      -321.38481         0.75000      1073.00000
  Found two species comparison        co          qtz      1.00000     1.00000  -321.38481  -321.38481    1
  Found two species comparison        co          coes     1.00000     1.00000  -320.82488  -321.38481    2
  Found two species comparison        co          st       1.00000     1.00000  -315.32737  -321.38481    3
  Found two species comparison        co          apbo     1.00000     1.00000  -312.13866  -321.38481    4
  Found two species comparison        qtz         alpv     1.00000     1.00000  -314.29849  -321.38481    5
  Found two species comparison        qtz         appv     1.00000     1.00000  -293.74994  -321.38481    6
  Found two species comparison        coes        alpv     1.00000     1.00000  -313.73856  -321.38481    7
  Found two species comparison        coes        appv     1.00000     1.00000  -293.19001  -321.38481    8
  Found two species comparison        st          alpv     1.00000     1.00000  -308.24105  -321.38481    9
  Found two species comparison        st          appv     1.00000     1.00000  -287.69250  -321.38481   10
  Found two species comparison        apbo        alpv     1.00000     1.00000  -305.05234  -321.38481   11
  Found two species comparison        apbo        appv     1.00000     1.00000  -284.50380  -321.38481   12
  Found one species comparison        ky       1.00000  -321.37865  -321.38481   13
 272 ky                 1.00   0.00   0.00   0.00   2.00   0.00   5.00
Number of non-zero components,phases,Gapp    3    1      -321.09852         0.80000      1073.00000
  Found two species comparison        co          qtz      1.00000     1.00000  -321.07567  -321.09852    1
  Found two species comparison        co          coes     1.00000     1.00000  -320.53358  -321.09852    2
  Found two species comparison        co          st       1.00000     1.00000  -315.07607  -321.09852    3
  Found two species comparison        co          apbo     1.00000     1.00000  -311.88965  -321.09852    4
  Found two species comparison        qtz         alpv     1.00000     1.00000  -313.99259  -321.09852    5
  Found two species comparison        qtz         appv     1.00000     1.00000  -293.44979  -321.09852    6
  Found two species comparison        coes        alpv     1.00000     1.00000  -313.45050  -321.09852    7
  Found two species comparison        coes        appv     1.00000     1.00000  -292.90770  -321.09852    8
  Found two species comparison        st          alpv     1.00000     1.00000  -307.99299  -321.09852    9
  Found two species comparison        st          appv     1.00000     1.00000  -287.45019  -321.09852   10
  Found two species comparison        apbo        alpv     1.00000     1.00000  -304.80657  -321.09852   11
  Found two species comparison        apbo        appv     1.00000     1.00000  -284.26376  -321.09852   12
  Found one species comparison        ky       1.00000  -321.09852  -321.09852   13
 273 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -337.53653         3.10000      1673.00000
  Found one species comparison        an       3.00000  -337.39691  -337.53653    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -337.11209  -337.53653    2
  Found two species comparison        cats        coes     3.00000     3.00000  -336.99787  -337.53653    3
  Found two species comparison        cats        st       3.00000     3.00000  -334.12549  -337.53653    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -332.11352  -337.53653    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -330.87102  -337.53653    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -330.75679  -337.53653    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -327.88441  -337.53653    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -325.87245  -337.53653    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -327.14422  -337.53653   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -315.81584  -337.53653   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -327.02999  -337.53653   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -315.70162  -337.53653   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -324.15761  -337.53653   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -312.82923  -337.53653   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -322.14565  -337.53653   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -310.81727  -337.53653   17
  Found two species comparison        capv        ky       3.00000     3.00000  -331.09206  -337.53653   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -337.38916  -337.53653   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -337.27494  -337.53653   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -334.40256  -337.53653   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -332.39059  -337.53653   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -334.90463  -337.53653   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -327.35238  -337.53653   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -337.53653  -337.53653   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -334.79041  -337.53653   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -327.23815  -337.53653   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -337.49845  -337.53653   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -331.91802  -337.53653   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -324.36577  -337.53653   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -336.54099  -337.53653   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -329.90606  -337.53653   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -322.35381  -337.53653   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -335.87033  -337.53653   34
 274 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -338.15842         3.00000      1673.00000
  Found one species comparison        an       3.00000  -338.15842  -338.15842    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -337.78263  -338.15842    2
  Found two species comparison        cats        coes     3.00000     3.00000  -337.64818  -338.15842    3
  Found two species comparison        cats        st       3.00000     3.00000  -334.73014  -338.15842    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -332.71531  -338.15842    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -331.46771  -338.15842    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -331.33326  -338.15842    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -328.41522  -338.15842    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -326.40039  -338.15842    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -327.73762  -338.15842   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -316.40386  -338.15842   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -327.60317  -338.15842   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -316.26941  -338.15842   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -324.68513  -338.15842   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -313.35137  -338.15842   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -322.67030  -338.15842   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -311.33654  -338.15842   17
  Found two species comparison        capv        ky       3.00000     3.00000  -331.65630  -338.15842   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -338.02548  -338.15842   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -337.89103  -338.15842   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -334.97299  -338.15842   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -332.95816  -338.15842   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -335.53876  -338.15842   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -327.98291  -338.15842   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -338.15121  -338.15842   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -335.40430  -338.15842   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -327.84846  -338.15842   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -338.10639  -338.15842   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -332.48627  -338.15842   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -324.93042  -338.15842   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -337.13371  -338.15842   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -330.47143  -338.15842   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -322.91559  -338.15842   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -336.46210  -338.15842   34
 275 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -335.66589         3.00000      1623.00000
  Found one species comparison        an       3.00000  -335.51869  -335.66589    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -335.17021  -335.66589    2
  Found two species comparison        cats        coes     3.00000     3.00000  -335.05834  -335.66589    3
  Found two species comparison        cats        st       3.00000     3.00000  -332.18835  -335.66589    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -330.18339  -335.66589    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -328.92765  -335.66589    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -328.81579  -335.66589    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -325.94580  -335.66589    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -323.94084  -335.66589    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -325.14996  -335.66589   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -313.71287  -335.66589   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -325.03809  -335.66589   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -313.60100  -335.66589   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -322.16810  -335.66589   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -310.73102  -335.66589   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -320.16315  -335.66589   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -308.72606  -335.66589   17
  Found two species comparison        capv        ky       3.00000     3.00000  -329.16593  -335.66589   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -335.50704  -335.66589   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -335.39517  -335.66589   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -332.52518  -335.66589   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -330.52023  -335.66589   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -332.98858  -335.66589   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -325.36386  -335.66589   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -335.66589  -335.66589   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -332.87671  -335.66589   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -325.25199  -335.66589   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -335.62860  -335.66589   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -330.00672  -335.66589   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -322.38200  -335.66589   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -334.67194  -335.66589   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -328.00177  -335.66589   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -320.37704  -335.66589   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -334.00362  -335.66589   34
 276 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -336.28023         2.90000      1623.00000
  Found one species comparison        an       3.00000  -336.28051  -336.28023    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -335.84064  -336.28023    2
  Found two species comparison        cats        coes     3.00000     3.00000  -335.70845  -336.28023    3
  Found two species comparison        cats        st       3.00000     3.00000  -332.79260  -336.28023    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -330.78478  -336.28023    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -329.52396  -336.28023    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -329.39178  -336.28023    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -326.47592  -336.28023    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -324.46811  -336.28023    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -325.74292  -336.28023   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -314.30027  -336.28023   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -325.61074  -336.28023   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -314.16808  -336.28023   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -322.69488  -336.28023   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -311.25223  -336.28023   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -320.68707  -336.28023   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -309.24442  -336.28023   17
  Found two species comparison        capv        ky       3.00000     3.00000  -329.72958  -336.28023   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -336.14315  -336.28023   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -336.01096  -336.28023   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -333.09511  -336.28023   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -331.08730  -336.28023   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -333.62246  -336.28023   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -325.99402  -336.28023   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -336.28023  -336.28023   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -333.49027  -336.28023   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -325.86184  -336.28023   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -336.23617  -336.28023   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -330.57442  -336.28023   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -322.94598  -336.28023   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -335.26422  -336.28023   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -328.56660  -336.28023   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -320.93817  -336.28023   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -334.59495  -336.28023   34
 277 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -337.04316         2.80000      1623.00000
  Found one species comparison        an       3.00000  -337.04316  -337.04316    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -336.51167  -337.04316    2
  Found two species comparison        cats        coes     3.00000     3.00000  -336.35916  -337.04316    3
  Found two species comparison        cats        st       3.00000     3.00000  -333.39734  -337.04316    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -331.38666  -337.04316    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -330.12061  -337.04316    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -329.96811  -337.04316    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -327.00629  -337.04316    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -324.99561  -337.04316    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -326.33623  -337.04316   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -314.88803  -337.04316   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -326.18373  -337.04316   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -314.73552  -337.04316   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -323.22191  -337.04316   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -311.77370  -337.04316   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -321.21123  -337.04316   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -309.76302  -337.04316   17
  Found two species comparison        capv        ky       3.00000     3.00000  -330.29357  -337.04316   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -336.77968  -337.04316   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -336.62717  -337.04316   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -333.66536  -337.04316   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -331.65468  -337.04316   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -334.25676  -337.04316   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -326.62462  -337.04316   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -336.89499  -337.04316   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -334.10425  -337.04316   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -326.47212  -337.04316   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -336.84415  -337.04316   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -331.14243  -337.04316   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -323.51030  -337.04316   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -335.85688  -337.04316   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -329.13175  -337.04316   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -321.49962  -337.04316   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -335.18665  -337.04316   34
 278 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -337.04316         2.80000      1623.00000
  Found one species comparison        an       3.00000  -337.04316  -337.04316    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -336.51167  -337.04316    2
  Found two species comparison        cats        coes     3.00000     3.00000  -336.35916  -337.04316    3
  Found two species comparison        cats        st       3.00000     3.00000  -333.39734  -337.04316    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -331.38666  -337.04316    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -330.12061  -337.04316    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -329.96811  -337.04316    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -327.00629  -337.04316    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -324.99561  -337.04316    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -326.33623  -337.04316   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -314.88803  -337.04316   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -326.18373  -337.04316   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -314.73552  -337.04316   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -323.22191  -337.04316   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -311.77370  -337.04316   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -321.21123  -337.04316   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -309.76302  -337.04316   17
  Found two species comparison        capv        ky       3.00000     3.00000  -330.29357  -337.04316   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -336.77968  -337.04316   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -336.62717  -337.04316   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -333.66536  -337.04316   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -331.65468  -337.04316   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -334.25676  -337.04316   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -326.62462  -337.04316   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -336.89499  -337.04316   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -334.10425  -337.04316   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -326.47212  -337.04316   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -336.84415  -337.04316   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -331.14243  -337.04316   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -323.51030  -337.04316   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -335.85688  -337.04316   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -329.13175  -337.04316   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -321.49962  -337.04316   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -335.18665  -337.04316   34
 279 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -335.66589         3.00000      1623.00000
  Found one species comparison        an       3.00000  -335.51869  -335.66589    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -335.17021  -335.66589    2
  Found two species comparison        cats        coes     3.00000     3.00000  -335.05834  -335.66589    3
  Found two species comparison        cats        st       3.00000     3.00000  -332.18835  -335.66589    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -330.18339  -335.66589    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -328.92765  -335.66589    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -328.81579  -335.66589    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -325.94580  -335.66589    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -323.94084  -335.66589    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -325.14996  -335.66589   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -313.71287  -335.66589   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -325.03809  -335.66589   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -313.60100  -335.66589   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -322.16810  -335.66589   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -310.73102  -335.66589   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -320.16315  -335.66589   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -308.72606  -335.66589   17
  Found two species comparison        capv        ky       3.00000     3.00000  -329.16593  -335.66589   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -335.50704  -335.66589   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -335.39517  -335.66589   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -332.52518  -335.66589   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -330.52023  -335.66589   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -332.98858  -335.66589   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -325.36386  -335.66589   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -335.66589  -335.66589   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -332.87671  -335.66589   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -325.25199  -335.66589   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -335.62860  -335.66589   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -330.00672  -335.66589   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -322.38200  -335.66589   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -334.67194  -335.66589   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -328.00177  -335.66589   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -320.37704  -335.66589   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -334.00362  -335.66589   34
 280 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -336.28051         2.90000      1623.00000
  Found one species comparison        an       3.00000  -336.28051  -336.28051    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -335.84064  -336.28051    2
  Found two species comparison        cats        coes     3.00000     3.00000  -335.70845  -336.28051    3
  Found two species comparison        cats        st       3.00000     3.00000  -332.79260  -336.28051    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -330.78478  -336.28051    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -329.52396  -336.28051    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -329.39178  -336.28051    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -326.47592  -336.28051    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -324.46811  -336.28051    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -325.74292  -336.28051   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -314.30027  -336.28051   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -325.61074  -336.28051   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -314.16808  -336.28051   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -322.69488  -336.28051   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -311.25223  -336.28051   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -320.68707  -336.28051   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -309.24442  -336.28051   17
  Found two species comparison        capv        ky       3.00000     3.00000  -329.72958  -336.28051   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -336.14315  -336.28051   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -336.01096  -336.28051   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -333.09511  -336.28051   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -331.08730  -336.28051   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -333.62246  -336.28051   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -325.99402  -336.28051   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -336.28023  -336.28051   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -333.49027  -336.28051   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -325.86184  -336.28051   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -336.23617  -336.28051   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -330.57442  -336.28051   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -322.94598  -336.28051   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -335.26422  -336.28051   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -328.56660  -336.28051   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -320.93817  -336.28051   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -334.59495  -336.28051   34
 281 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -333.83362         2.90000      1573.00000
  Found one species comparison        an       3.00000  -333.67860  -333.83362    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -333.26658  -333.83362    2
  Found two species comparison        cats        coes     3.00000     3.00000  -333.15694  -333.83362    3
  Found two species comparison        cats        st       3.00000     3.00000  -330.28969  -333.83362    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -328.29171  -333.83362    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -327.02392  -333.83362    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -326.91427  -333.83362    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -324.04702  -333.83362    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -322.04904  -333.83362    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -323.19566  -333.83362   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -311.65101  -333.83362   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -323.08601  -333.83362   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -311.54136  -333.83362   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -320.21877  -333.83362   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -308.67412  -333.83362   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -318.22079  -333.83362   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -306.67613  -333.83362   17
  Found two species comparison        capv        ky       3.00000     3.00000  -327.27905  -333.83362   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -333.66353  -333.83362   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -333.55389  -333.83362   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -330.68664  -333.83362   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -328.68866  -333.83362   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -331.11136  -333.83362   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -323.41493  -333.83362   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -333.83362  -333.83362   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -331.00172  -333.83362   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -323.30528  -333.83362   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -333.79707  -333.83362   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -328.13447  -333.83362   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -320.43804  -333.83362   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -332.84133  -333.83362   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -326.13649  -333.83362   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -318.44005  -333.83362   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -332.17533  -333.83362   34
 282 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -335.20370         2.70000      1573.00000
  Found one species comparison        an       3.00000  -335.20370  -335.20370    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -334.60784  -335.20370    2
  Found two species comparison        cats        coes     3.00000     3.00000  -334.45737  -335.20370    3
  Found two species comparison        cats        st       3.00000     3.00000  -331.49789  -335.20370    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -329.49420  -335.20370    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -328.21612  -335.20370    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -328.06565  -335.20370    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -325.10617  -335.20370    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -323.10248  -335.20370    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -324.38105  -335.20370   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -312.82494  -335.20370   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -324.23058  -335.20370   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -312.67447  -335.20370   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -321.27110  -335.20370   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -309.71499  -335.20370   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -319.26741  -335.20370   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -307.71130  -335.20370   17
  Found two species comparison        capv        ky       3.00000     3.00000  -328.40552  -335.20370   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -334.93576  -335.20370   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -334.78529  -335.20370   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -331.82581  -335.20370   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -329.82212  -335.20370   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -332.37905  -335.20370   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -324.67498  -335.20370   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -335.06203  -335.20370   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -332.22858  -335.20370   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -324.52451  -335.20370   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -335.01188  -335.20370   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -329.26910  -335.20370   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -321.56502  -335.20370   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -334.02538  -335.20370   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -327.26541  -335.20370   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -319.56134  -335.20370   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -333.35749  -335.20370   34
 283 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -335.20370         2.70000      1573.00000
  Found one species comparison        an       3.00000  -335.20370  -335.20370    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -334.60784  -335.20370    2
  Found two species comparison        cats        coes     3.00000     3.00000  -334.45737  -335.20370    3
  Found two species comparison        cats        st       3.00000     3.00000  -331.49789  -335.20370    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -329.49420  -335.20370    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -328.21612  -335.20370    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -328.06565  -335.20370    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -325.10617  -335.20370    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -323.10248  -335.20370    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -324.38105  -335.20370   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -312.82494  -335.20370   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -324.23058  -335.20370   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -312.67447  -335.20370   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -321.27110  -335.20370   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -309.71499  -335.20370   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -319.26741  -335.20370   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -307.71130  -335.20370   17
  Found two species comparison        capv        ky       3.00000     3.00000  -328.40552  -335.20370   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -334.93576  -335.20370   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -334.78529  -335.20370   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -331.82581  -335.20370   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -329.82212  -335.20370   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -332.37905  -335.20370   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -324.67498  -335.20370   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -335.06203  -335.20370   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -332.22858  -335.20370   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -324.52451  -335.20370   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -335.01188  -335.20370   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -329.26910  -335.20370   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -321.56502  -335.20370   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -334.02538  -335.20370   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -327.26541  -335.20370   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -319.56134  -335.20370   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -333.35749  -335.20370   34
 284 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -332.04089         2.80000      1523.00000
  Found one species comparison        an       3.00000  -331.87783  -332.04089    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -331.40240  -332.04089    2
  Found two species comparison        cats        coes     3.00000     3.00000  -331.29484  -332.04089    3
  Found two species comparison        cats        st       3.00000     3.00000  -328.43068  -332.04089    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -326.43964  -332.04089    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -325.16096  -332.04089    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -325.05340  -332.04089    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -322.18924  -332.04089    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -320.19820  -332.04089    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -321.28248  -332.04089   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -309.63136  -332.04089   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -321.17492  -332.04089   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -309.52380  -332.04089   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -318.31076  -332.04089   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -306.65964  -332.04089   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -316.31972  -332.04089   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -304.66860  -332.04089   17
  Found two species comparison        capv        ky       3.00000     3.00000  -325.43259  -332.04089   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -331.85981  -332.04089   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -331.75224  -332.04089   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -328.88808  -332.04089   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -326.89704  -332.04089   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -329.27415  -332.04089   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -321.50674  -332.04089   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -332.04089  -332.04089   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -329.16659  -332.04089   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -321.39917  -332.04089   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -332.00504  -332.04089   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -326.30243  -332.04089   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -318.53502  -332.04089   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -331.05032  -332.04089   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -324.31139  -332.04089   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -316.54398  -332.04089   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -330.38664  -332.04089   34
 285 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -333.40357         2.60000      1523.00000
  Found one species comparison        an       3.00000  -333.40357  -333.40357    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -332.74346  -333.40357    2
  Found two species comparison        cats        coes     3.00000     3.00000  -332.59489  -333.40357    3
  Found two species comparison        cats        st       3.00000     3.00000  -329.63808  -333.40357    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -327.64135  -333.40357    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -326.35243  -333.40357    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -326.20385  -333.40357    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -323.24704  -333.40357    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -321.25032  -333.40357    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -322.46701  -333.40357   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -310.80411  -333.40357   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -322.31843  -333.40357   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -310.65553  -333.40357   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -319.36162  -333.40357   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -307.69872  -333.40357   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -317.36490  -333.40357   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -305.70200  -333.40357   17
  Found two species comparison        capv        ky       3.00000     3.00000  -326.55790  -333.40357   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -333.13164  -333.40357   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -332.98307  -333.40357   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -330.02626  -333.40357   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -328.02953  -333.40357   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -330.54136  -333.40357   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -322.76609  -333.40357   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -333.26862  -333.40357   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -330.39279  -333.40357   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -322.61752  -333.40357   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -333.21910  -333.40357   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -327.43598  -333.40357   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -319.66071  -333.40357   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -332.23350  -333.40357   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -325.43925  -333.40357   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -317.66399  -333.40357   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -331.56792  -333.40357   34
 286 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -334.16768         2.50000      1523.00000
  Found one species comparison        an       3.00000  -334.16768  -334.16768    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -333.41490  -334.16768    2
  Found two species comparison        cats        coes     3.00000     3.00000  -333.24580  -334.16768    3
  Found two species comparison        cats        st       3.00000     3.00000  -330.24251  -334.16768    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -328.24294  -334.16768    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -326.94868  -334.16768    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -326.77959  -334.16768    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -323.77630  -334.16768    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -321.77672  -334.16768    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -323.05980  -334.16768   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -311.39102  -334.16768   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -322.89070  -334.16768   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -311.22192  -334.16768   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -319.88741  -334.16768   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -308.21863  -334.16768   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -317.88784  -334.16768   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -306.21906  -334.16768   17
  Found two species comparison        capv        ky       3.00000     3.00000  -327.12106  -334.16768   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -333.76820  -334.16768   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -333.59910  -334.16768   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -330.59581  -334.16768   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -328.59624  -334.16768   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -331.17561  -334.16768   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -323.39643  -334.16768   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -333.88312  -334.16768   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -331.00651  -334.16768   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -323.22733  -334.16768   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -333.82675  -334.16768   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -328.00323  -334.16768   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -320.22404  -334.16768   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -332.82565  -334.16768   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -326.00365  -334.16768   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -318.22447  -334.16768   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -332.15913  -334.16768   34
 287 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -330.28905         2.70000      1473.00000
  Found one species comparison        an       3.00000  -330.11763  -330.28905    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -329.57930  -330.28905    2
  Found two species comparison        cats        coes     3.00000     3.00000  -329.47330  -330.28905    3
  Found two species comparison        cats        st       3.00000     3.00000  -326.61255  -330.28905    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -324.62842  -330.28905    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -323.34041  -330.28905    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -323.23440  -330.28905    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -320.37365  -330.28905    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -318.38952  -330.28905    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -319.41203  -330.28905   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -307.65552  -330.28905   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -319.30603  -330.28905   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -307.54952  -330.28905   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -316.44528  -330.28905   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -304.68877  -330.28905   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -314.46115  -330.28905   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -302.70464  -330.28905   17
  Found two species comparison        capv        ky       3.00000     3.00000  -323.62777  -330.28905   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -330.09748  -330.28905   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -329.99147  -330.28905   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -327.13073  -330.28905   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -325.14659  -330.28905   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -327.47856  -330.28905   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -319.64089  -330.28905   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -330.28905  -330.28905   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -327.37256  -330.28905   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -319.53489  -330.28905   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -330.25372  -330.28905   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -324.51181  -330.28905   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -316.67414  -330.28905   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -329.30014  -330.28905   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -322.52768  -330.28905   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -314.69001  -330.28905   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -328.63876  -330.28905   34
 288 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -331.64401         2.50000      1473.00000
  Found one species comparison        an       3.00000  -331.64401  -331.64401    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -330.91979  -331.64401    2
  Found two species comparison        cats        coes     3.00000     3.00000  -330.77296  -331.64401    3
  Found two species comparison        cats        st       3.00000     3.00000  -327.81915  -331.64401    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -325.82936  -331.64401    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -324.53076  -331.64401    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -324.38393  -331.64401    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -321.43013  -331.64401    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -319.44033  -331.64401    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -320.59532  -331.64401   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -308.82672  -331.64401   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -320.44850  -331.64401   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -308.67990  -331.64401   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -317.49469  -331.64401   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -305.72609  -331.64401   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -315.50490  -331.64401   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -303.73629  -331.64401   17
  Found two species comparison        capv        ky       3.00000     3.00000  -324.75192  -331.64401   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -331.36855  -331.64401   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -331.22172  -331.64401   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -328.26792  -331.64401   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -326.27812  -331.64401   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -328.74492  -331.64401   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -320.89919  -331.64401   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -331.51599  -331.64401   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -328.59810  -331.64401   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -320.75236  -331.64401   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -331.46705  -331.64401   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -325.64429  -331.64401   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -317.79856  -331.64401   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -330.48244  -331.64401   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -323.65449  -331.64401   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -315.80876  -331.64401   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -329.81918  -331.64401   34
 289 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -328.57983         2.60000      1423.00000
  Found one species comparison        an       3.00000  -328.39934  -328.57983    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -327.79979  -328.57983    2
  Found two species comparison        cats        coes     3.00000     3.00000  -327.69363  -328.57983    3
  Found two species comparison        cats        st       3.00000     3.00000  -324.83660  -328.57983    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -322.85934  -328.57983    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -321.56475  -328.57983    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -321.45859  -328.57983    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -318.60155  -328.57983    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -316.62430  -328.57983    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -317.58682  -328.57983   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -305.72597  -328.57983   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -317.48066  -328.57983   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -305.61981  -328.57983   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -314.62363  -328.57983   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -302.76278  -328.57983   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -312.64637  -328.57983   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -300.78552  -328.57983   17
  Found two species comparison        capv        ky       3.00000     3.00000  -321.86590  -328.57983   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -328.37907  -328.57983   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -328.27291  -328.57983   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -325.41587  -328.57983   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -323.43862  -328.57983   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -325.72712  -328.57983   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -317.81988  -328.57983   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -328.57983  -328.57983   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -325.62095  -328.57983   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -317.71372  -328.57983   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -328.54445  -328.57983   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -322.76392  -328.57983   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -314.85669  -328.57983   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -327.59210  -328.57983   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -320.78667  -328.57983   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -312.87943  -328.57983   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -326.93302  -328.57983   34
 290 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -329.92636         2.40000      1423.00000
  Found one species comparison        an       3.00000  -329.92636  -329.92636    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -329.13814  -329.92636    2
  Found two species comparison        cats        coes     3.00000     3.00000  -328.99291  -329.92636    3
  Found two species comparison        cats        st       3.00000     3.00000  -326.04242  -329.92636    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -324.05952  -329.92636    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -322.75243  -329.92636    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -322.60721  -329.92636    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -319.65672  -329.92636    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -317.67381  -329.92636    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -318.76732  -329.92636   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -306.89408  -329.92636   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -318.62210  -329.92636   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -306.74885  -329.92636   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -315.67161  -329.92636   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -303.79836  -329.92636   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -313.68870  -329.92636   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -301.81546  -329.92636   17
  Found two species comparison        capv        ky       3.00000     3.00000  -322.98890  -329.92636   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -329.64780  -329.92636   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -329.50258  -329.92636   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -326.55209  -329.92636   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -324.56919  -329.92636   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -326.99106  -329.92636   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -319.07557  -329.92636   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -329.80545  -329.92636   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -326.84584  -329.92636   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -318.93035  -329.92636   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -329.75705  -329.92636   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -323.89535  -329.92636   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -315.97986  -329.92636   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -328.77355  -329.92636   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -321.91245  -329.92636   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -313.99695  -329.92636   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -328.11258  -329.92636   34
 291 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -328.57983         2.60000      1423.00000
  Found one species comparison        an       3.00000  -328.39934  -328.57983    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -327.79979  -328.57983    2
  Found two species comparison        cats        coes     3.00000     3.00000  -327.69363  -328.57983    3
  Found two species comparison        cats        st       3.00000     3.00000  -324.83660  -328.57983    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -322.85934  -328.57983    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -321.56475  -328.57983    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -321.45859  -328.57983    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -318.60155  -328.57983    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -316.62430  -328.57983    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -317.58682  -328.57983   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -305.72597  -328.57983   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -317.48066  -328.57983   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -305.61981  -328.57983   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -314.62363  -328.57983   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -302.76278  -328.57983   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -312.64637  -328.57983   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -300.78552  -328.57983   17
  Found two species comparison        capv        ky       3.00000     3.00000  -321.86590  -328.57983   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -328.37907  -328.57983   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -328.27291  -328.57983   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -325.41587  -328.57983   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -323.43862  -328.57983   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -325.72712  -328.57983   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -317.81988  -328.57983   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -328.57983  -328.57983   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -325.62095  -328.57983   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -317.71372  -328.57983   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -328.54445  -328.57983   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -322.76392  -328.57983   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -314.85669  -328.57983   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -327.59210  -328.57983   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -320.78667  -328.57983   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -312.87943  -328.57983   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -326.93302  -328.57983   34
 292 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -329.92636         2.40000      1423.00000
  Found one species comparison        an       3.00000  -329.92636  -329.92636    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -329.13814  -329.92636    2
  Found two species comparison        cats        coes     3.00000     3.00000  -328.99291  -329.92636    3
  Found two species comparison        cats        st       3.00000     3.00000  -326.04242  -329.92636    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -324.05952  -329.92636    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -322.75243  -329.92636    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -322.60721  -329.92636    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -319.65672  -329.92636    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -317.67381  -329.92636    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -318.76732  -329.92636   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -306.89408  -329.92636   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -318.62210  -329.92636   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -306.74885  -329.92636   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -315.67161  -329.92636   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -303.79836  -329.92636   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -313.68870  -329.92636   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -301.81546  -329.92636   17
  Found two species comparison        capv        ky       3.00000     3.00000  -322.98890  -329.92636   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -329.64780  -329.92636   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -329.50258  -329.92636   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -326.55209  -329.92636   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -324.56919  -329.92636   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -326.99106  -329.92636   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -319.07557  -329.92636   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -329.80545  -329.92636   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -326.84584  -329.92636   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -318.93035  -329.92636   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -329.75705  -329.92636   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -323.89535  -329.92636   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -315.97986  -329.92636   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -328.77355  -329.92636   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -321.91245  -329.92636   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -313.99695  -329.92636   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -328.11258  -329.92636   34
 293 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -326.30319         2.60000      1373.00000
  Found one species comparison        an       3.00000  -325.96180  -326.30319    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -325.39841  -326.30319    2
  Found two species comparison        cats        coes     3.00000     3.00000  -325.30869  -326.30319    3
  Found two species comparison        cats        st       3.00000     3.00000  -322.50245  -326.30319    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -320.53484  -326.30319    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -319.24370  -326.30319    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -319.15399  -326.30319    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -316.34774  -326.30319    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -314.38013  -326.30319    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -315.22022  -326.30319   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -303.26239  -326.30319   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -315.13051  -326.30319   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -303.17268  -326.30319   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -312.32426  -326.30319   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -300.36643  -326.30319   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -310.35665  -326.30319   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -298.39882  -326.30319   17
  Found two species comparison        capv        ky       3.00000     3.00000  -319.58792  -326.30319   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -326.07371  -326.30319   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -325.98400  -326.30319   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -323.17775  -326.30319   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -321.21014  -326.30319   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -323.39139  -326.30319   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -315.41950  -326.30319   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -326.30319  -326.30319   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -323.30168  -326.30319   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -315.32979  -326.30319   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -326.27329  -326.30319   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -320.49543  -326.30319   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -312.52354  -326.30319   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -325.33787  -326.30319   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -318.52782  -326.30319   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -310.55593  -326.30319   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -324.68200  -326.30319   34
 294 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -327.52621         2.40000      1373.00000
  Found one species comparison        an       3.00000  -327.48781  -327.52621    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -326.73199  -327.52621    2
  Found two species comparison        cats        coes     3.00000     3.00000  -326.60642  -327.52621    3
  Found two species comparison        cats        st       3.00000     3.00000  -323.70652  -327.52621    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -321.73329  -327.52621    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -320.42661  -327.52621    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -320.30104  -327.52621    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -317.40114  -327.52621    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -315.42791  -327.52621    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -316.39582  -327.52621   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -304.42530  -327.52621   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -316.27025  -327.52621   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -304.29973  -327.52621   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -313.37035  -327.52621   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -301.39983  -327.52621   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -311.39712  -327.52621   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -299.42660  -327.52621   17
  Found two species comparison        capv        ky       3.00000     3.00000  -320.70914  -327.52621   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -327.33785  -327.52621   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -327.21228  -327.52621   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -324.31239  -327.52621   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -322.33916  -327.52621   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -324.65066  -327.52621   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -316.67031  -327.52621   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -327.52621  -327.52621   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -324.52509  -327.52621   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -316.54474  -327.52621   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -327.48435  -327.52621   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -321.62519  -327.52621   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -313.64485  -327.52621   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -326.51772  -327.52621   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -319.65196  -327.52621   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -311.67162  -327.52621   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -325.85997  -327.52621   34
 295 grkyqtz            6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    3      -327.52621         2.40000      1373.00000
  Found one species comparison        an       3.00000  -327.48781  -327.52621    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -326.73199  -327.52621    2
  Found two species comparison        cats        coes     3.00000     3.00000  -326.60642  -327.52621    3
  Found two species comparison        cats        st       3.00000     3.00000  -323.70652  -327.52621    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -321.73329  -327.52621    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -320.42661  -327.52621    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -320.30104  -327.52621    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -317.40114  -327.52621    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -315.42791  -327.52621    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -316.39582  -327.52621   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -304.42530  -327.52621   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -316.27025  -327.52621   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -304.29973  -327.52621   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -313.37035  -327.52621   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -301.39983  -327.52621   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -311.39712  -327.52621   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -299.42660  -327.52621   17
  Found two species comparison        capv        ky       3.00000     3.00000  -320.70914  -327.52621   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -327.33785  -327.52621   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -327.21228  -327.52621   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -324.31239  -327.52621   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -322.33916  -327.52621   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -324.65066  -327.52621   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -316.67031  -327.52621   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -327.52621  -327.52621   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -324.52509  -327.52621   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -316.54474  -327.52621   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -327.48435  -327.52621   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -321.62519  -327.52621   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -313.64485  -327.52621   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -326.51772  -327.52621   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -319.65196  -327.52621   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -311.67162  -327.52621   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -325.85997  -327.52621   34
 296 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -329.01715         2.20000      1373.00000
  Found one species comparison        an       3.00000  -329.01715  -329.01715    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -328.07110  -329.01715    2
  Found two species comparison        cats        coes     3.00000     3.00000  -327.90651  -329.01715    3
  Found two species comparison        cats        st       3.00000     3.00000  -324.91254  -329.01715    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -322.93367  -329.01715    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -321.61403  -329.01715    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -321.44943  -329.01715    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -318.45547  -329.01715    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -316.47660  -329.01715    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -317.57594  -329.01715   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -305.59276  -329.01715   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -317.41135  -329.01715   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -305.42816  -329.01715   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -314.41738  -329.01715   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -302.43419  -329.01715   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -312.43851  -329.01715   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -300.45532  -329.01715   17
  Found two species comparison        capv        ky       3.00000     3.00000  -321.83167  -329.01715   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -328.60682  -329.01715   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -328.44222  -329.01715   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -325.44826  -329.01715   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -323.46939  -329.01715   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -325.91476  -329.01715   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -317.92597  -329.01715   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -328.75191  -329.01715   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -325.75016  -329.01715   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -317.76137  -329.01715   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -328.69704  -329.01715   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -322.75620  -329.01715   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -314.76741  -329.01715   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -327.69906  -329.01715   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -320.77733  -329.01715   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -312.78854  -329.01715   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -327.03943  -329.01715   34
 297 an                 6.00   0.00   0.00   3.00   6.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    1      -329.01715         2.20000      1373.00000
  Found one species comparison        an       3.00000  -329.01715  -329.01715    1
  Found two species comparison        cats        qtz      3.00000     3.00000  -328.07110  -329.01715    2
  Found two species comparison        cats        coes     3.00000     3.00000  -327.90651  -329.01715    3
  Found two species comparison        cats        st       3.00000     3.00000  -324.91254  -329.01715    4
  Found two species comparison        cats        apbo     3.00000     3.00000  -322.93367  -329.01715    5
Found three species comparison        capv        co          qtz      3.00000     3.00000     3.00000  -321.61403  -329.01715    6
Found three species comparison        capv        co          coes     3.00000     3.00000     3.00000  -321.44943  -329.01715    7
Found three species comparison        capv        co          st       3.00000     3.00000     3.00000  -318.45547  -329.01715    8
Found three species comparison        capv        co          apbo     3.00000     3.00000     3.00000  -316.47660  -329.01715    9
Found three species comparison        capv        qtz         alpv     3.00000     3.00000     3.00000  -317.57594  -329.01715   10
Found three species comparison        capv        qtz         appv     3.00000     3.00000     3.00000  -305.59276  -329.01715   11
Found three species comparison        capv        coes        alpv     3.00000     3.00000     3.00000  -317.41135  -329.01715   12
Found three species comparison        capv        coes        appv     3.00000     3.00000     3.00000  -305.42816  -329.01715   13
Found three species comparison        capv        st          alpv     3.00000     3.00000     3.00000  -314.41738  -329.01715   14
Found three species comparison        capv        st          appv     3.00000     3.00000     3.00000  -302.43419  -329.01715   15
Found three species comparison        capv        apbo        alpv     3.00000     3.00000     3.00000  -312.43851  -329.01715   16
Found three species comparison        capv        apbo        appv     3.00000     3.00000     3.00000  -300.45532  -329.01715   17
  Found two species comparison        capv        ky       3.00000     3.00000  -321.83167  -329.01715   18
Found three species comparison        co          gr          qtz      2.00000     1.00000     3.00000  -328.60682  -329.01715   19
Found three species comparison        co          gr          coes     2.00000     1.00000     3.00000  -328.44222  -329.01715   20
Found three species comparison        co          gr          st       2.00000     1.00000     3.00000  -325.44826  -329.01715   21
Found three species comparison        co          gr          apbo     2.00000     1.00000     3.00000  -323.46939  -329.01715   22
Found three species comparison        gr          qtz         alpv     1.00000     3.00000     2.00000  -325.91476  -329.01715   23
Found three species comparison        gr          qtz         appv     1.00000     3.00000     2.00000  -317.92597  -329.01715   24
Found three species comparison        gr          qtz         ky       1.00000     1.00000     2.00000  -328.75191  -329.01715   25
Found three species comparison        gr          coes        alpv     1.00000     3.00000     2.00000  -325.75016  -329.01715   26
Found three species comparison        gr          coes        appv     1.00000     3.00000     2.00000  -317.76137  -329.01715   27
Found three species comparison        gr          coes        ky       1.00000     1.00000     2.00000  -328.69704  -329.01715   28
Found three species comparison        gr          st          alpv     1.00000     3.00000     2.00000  -322.75620  -329.01715   29
Found three species comparison        gr          st          appv     1.00000     3.00000     2.00000  -314.76741  -329.01715   30
Found three species comparison        gr          st          ky       1.00000     1.00000     2.00000  -327.69906  -329.01715   31
Found three species comparison        gr          apbo        alpv     1.00000     3.00000     2.00000  -320.77733  -329.01715   32
Found three species comparison        gr          apbo        appv     1.00000     3.00000     2.00000  -312.78854  -329.01715   33
Found three species comparison        gr          apbo        ky       1.00000     1.00000     2.00000  -327.03943  -329.01715   34
 298 jd                 2.00   0.00   0.00   0.00   1.00   1.00   6.00
Number of non-zero components,phases,Gapp    4    1      -311.00853         2.38000      1473.00000
  Found two species comparison        ab          anao     0.66667     0.16667  -308.83810  -311.00853    1
  Found two species comparison        ab          nacf     0.50000     0.50000  -305.60703  -311.00853    2
  Found two species comparison        ab          nnal     0.50000     0.16667  -305.30503  -311.00853    3
  Found two species comparison        ab          neph     0.50000     0.50000  -310.97275  -311.00853    4
  Found one species comparison        jd       1.00000  -311.00853  -311.00853    5
  Found two species comparison        qtz         anao     2.00000     0.50000  -301.99786  -311.00853    6
  Found two species comparison        qtz         nacf     1.00000     1.00000  -298.95584  -311.00853    7
  Found two species comparison        qtz         nnal     1.00000     0.33333  -298.35186  -311.00853    8
  Found two species comparison        qtz         neph     1.00000     1.00000  -309.68728  -311.00853    9
  Found two species comparison        coes        anao     2.00000     0.50000  -301.55178  -311.00853   10
  Found two species comparison        coes        nacf     1.00000     1.00000  -298.73280  -311.00853   11
  Found two species comparison        coes        nnal     1.00000     0.33333  -298.12881  -311.00853   12
  Found two species comparison        coes        neph     1.00000     1.00000  -309.46423  -311.00853   13
  Found two species comparison        st          anao     2.00000     0.50000  -293.72619  -311.00853   14
  Found two species comparison        st          nacf     1.00000     1.00000  -294.82001  -311.00853   15
  Found two species comparison        st          nnal     1.00000     0.33333  -294.21602  -311.00853   16
  Found two species comparison        st          neph     1.00000     1.00000  -305.55144  -311.00853   17
  Found two species comparison        apbo        anao     2.00000     0.50000  -288.54386  -311.00853   18
  Found two species comparison        apbo        nacf     1.00000     1.00000  -292.22884  -311.00853   19
  Found two species comparison        apbo        nnal     1.00000     0.33333  -291.62485  -311.00853   20
  Found two species comparison        apbo        neph     1.00000     1.00000  -302.96027  -311.00853   21
 299 nephab             4.00   0.00   0.00   0.00   2.00   2.00  12.00
Number of non-zero components,phases,Gapp    4    2      -311.35974         2.33000      1473.00000
  Found two species comparison        ab          anao     1.33333     0.33333  -309.21045  -311.35974    1
  Found two species comparison        ab          nacf     1.00000     1.00000  -305.95037  -311.35974    2
  Found two species comparison        ab          nnal     1.00000     0.33333  -305.64862  -311.35974    3
  Found two species comparison        ab          neph     1.00000     1.00000  -311.35974  -311.35974    4
  Found one species comparison        jd       2.00000  -311.31480  -311.35974    5
  Found two species comparison        qtz         anao     4.00000     1.00000  -302.34614  -311.35974    6
  Found two species comparison        qtz         nacf     2.00000     2.00000  -299.25813  -311.35974    7
  Found two species comparison        qtz         nnal     2.00000     0.66667  -298.65463  -311.35974    8
  Found two species comparison        qtz         neph     2.00000     2.00000  -310.07686  -311.35974    9
  Found two species comparison        coes        anao     4.00000     1.00000  -301.87323  -311.35974   10
  Found two species comparison        coes        nacf     2.00000     2.00000  -299.02167  -311.35974   11
  Found two species comparison        coes        nnal     2.00000     0.66667  -298.41817  -311.35974   12
  Found two species comparison        coes        neph     2.00000     2.00000  -309.84040  -311.35974   13
  Found two species comparison        st          anao     4.00000     1.00000  -293.98683  -311.35974   14
  Found two species comparison        st          nacf     2.00000     2.00000  -295.07847  -311.35974   15
  Found two species comparison        st          nnal     2.00000     0.66667  -294.47497  -311.35974   16
  Found two species comparison        st          neph     2.00000     2.00000  -305.89720  -311.35974   17
  Found two species comparison        apbo        anao     4.00000     1.00000  -288.80079  -311.35974   18
  Found two species comparison        apbo        nacf     2.00000     2.00000  -292.48545  -311.35974   19
  Found two species comparison        apbo        nnal     2.00000     0.66667  -291.88195  -311.35974   20
  Found two species comparison        apbo        neph     2.00000     2.00000  -303.30419  -311.35974   21
 300 jdanao             2.00   0.00   0.00   0.00   3.00   3.00  10.00
Number of non-zero components,phases,Gapp    4    2      -204.82109        18.00000      1273.00000
  Found two species comparison        ab          anao     0.66667     1.16667  -195.49278  -204.82109    1
  Found two species comparison        jd          anao     1.00000     1.00000  -204.82109  -204.82109    2
  Found two species comparison        qtz         anao     2.00000     1.50000  -196.05841  -204.82109    3
  Found two species comparison        coes        anao     2.00000     1.50000  -197.55131  -204.82109    4
  Found two species comparison        st          anao     2.00000     1.50000  -202.58328  -204.82109    5
  Found two species comparison        apbo        anao     2.00000     1.50000  -200.33357  -204.82109    6
  Found two species comparison        anao        nacf     0.50000     2.00000  -203.23282  -204.82109    7
  Found two species comparison        anao        nnal     0.50000     0.66667  -203.12703  -204.82109    8
  Found two species comparison        anao        neph     0.50000     2.00000  -193.22388  -204.82109    9
 301 jdanao             2.00   0.00   0.00   0.00   3.00   3.00  10.00
Number of non-zero components,phases,Gapp    4    2      -199.38533        19.00000      1273.00000
  Found two species comparison        ab          anao     0.66667     1.16667  -189.74244  -199.38533    1
  Found two species comparison        jd          anao     1.00000     1.00000  -199.38533  -199.38533    2
  Found two species comparison        qtz         anao     2.00000     1.50000  -190.49493  -199.38533    3
  Found two species comparison        coes        anao     2.00000     1.50000  -192.02661  -199.38533    4
  Found two species comparison        st          anao     2.00000     1.50000  -197.55224  -199.38533    5
  Found two species comparison        apbo        anao     2.00000     1.50000  -195.33600  -199.38533    6
  Found two species comparison        anao        nacf     0.50000     2.00000  -198.21503  -199.38533    7
  Found two species comparison        anao        nnal     0.50000     0.66667  -198.11317  -199.38533    8
  Found two species comparison        anao        neph     0.50000     2.00000  -187.19143  -199.38533    9
 302 jdanao             2.00   0.00   0.00   0.00   3.00   3.00  10.00
Number of non-zero components,phases,Gapp    4    2      -224.87793        16.00000      1473.00000
  Found two species comparison        ab          anao     0.66667     1.16667  -216.48719  -224.87793    1
  Found two species comparison        jd          anao     1.00000     1.00000  -224.87793  -224.87793    2
  Found two species comparison        qtz         anao     2.00000     1.50000  -216.34393  -224.87793    3
  Found two species comparison        coes        anao     2.00000     1.50000  -217.81431  -224.87793    4
  Found two species comparison        st          anao     2.00000     1.50000  -221.47191  -224.87793    5
  Found two species comparison        apbo        anao     2.00000     1.50000  -219.10588  -224.87793    6
  Found two species comparison        anao        nacf     0.50000     2.00000  -223.09033  -224.87793    7
  Found two species comparison        anao        nnal     0.50000     0.66667  -222.38637  -224.87793    8
  Found two species comparison        anao        neph     0.50000     2.00000  -214.68830  -224.87793    9
 303 jdanao             2.00   0.00   0.00   0.00   3.00   3.00  10.00
Number of non-zero components,phases,Gapp    4    2      -213.87544        18.00000      1473.00000
  Found two species comparison        ab          anao     0.66667     1.16667  -204.79463  -213.87544    1
  Found two species comparison        jd          anao     1.00000     1.00000  -213.87544  -213.87544    2
  Found two species comparison        qtz         anao     2.00000     1.50000  -205.04893  -213.87544    3
  Found two species comparison        coes        anao     2.00000     1.50000  -206.62264  -213.87544    4
  Found two species comparison        st          anao     2.00000     1.50000  -211.28666  -213.87544    5
  Found two species comparison        apbo        anao     2.00000     1.50000  -208.98939  -213.87544    6
  Found two species comparison        anao        nacf     0.50000     2.00000  -212.93386  -213.87544    7
  Found two species comparison        anao        nnal     0.50000     0.66667  -212.23873  -213.87544    8
  Found two species comparison        anao        neph     0.50000     2.00000  -202.35720  -213.87544    9
 304 jdanao             2.00   0.00   0.00   0.00   3.00   3.00  10.00
Number of non-zero components,phases,Gapp    4    2      -223.62376        18.00000      1673.00000
  Found two species comparison        ab          anao     0.66667     1.16667  -214.79049  -223.62376    1
  Found two species comparison        jd          anao     1.00000     1.00000  -223.62376  -223.62376    2
  Found two species comparison        qtz         anao     2.00000     1.50000  -214.74163  -223.62376    3
  Found two species comparison        coes        anao     2.00000     1.50000  -216.38907  -223.62376    4
  Found two species comparison        st          anao     2.00000     1.50000  -220.69323  -223.62376    5
  Found two species comparison        apbo        anao     2.00000     1.50000  -218.34765  -223.62376    6
  Found two species comparison        anao        nacf     0.50000     2.00000  -223.34778  -223.62376    7
  Found two species comparison        anao        nnal     0.50000     0.66667  -222.05456  -223.62376    8
  Found two species comparison        anao        neph     0.50000     2.00000  -212.22698  -223.62376    9
 305 jdanao             2.00   0.00   0.00   0.00   3.00   3.00  10.00
Number of non-zero components,phases,Gapp    4    2      -239.53022        17.00000      1873.00000
  Found two species comparison        ab          anao     0.66667     1.16667  -231.28567  -239.53022    1
  Found two species comparison        jd          anao     1.00000     1.00000  -239.53022  -239.53022    2
  Found two species comparison        qtz         anao     2.00000     1.50000  -230.75212  -239.53022    3
  Found two species comparison        coes        anao     2.00000     1.50000  -232.40509  -239.53022    4
  Found two species comparison        st          anao     2.00000     1.50000  -235.86956  -239.53022    5
  Found two species comparison        apbo        anao     2.00000     1.50000  -233.44005  -239.53022    6
  Found two species comparison        anao        nacf     0.50000     2.00000  -239.52691  -239.53022    7
  Found two species comparison        anao        nnal     0.50000     0.66667  -237.62034  -239.53022    8
  Found two species comparison        anao        neph     0.50000     2.00000  -229.04409  -239.53022    9
 306 nacf               1.00   0.00   0.00   0.00   1.00   1.00   4.00
Number of non-zero components,phases,Gapp    4    1      -185.35100        22.00000      1273.00000
  Found two species comparison        ab          anao     0.33333     0.33333  -171.80687  -185.35100    1
  Found two species comparison        jd          anao     0.50000     0.25000  -185.28576  -185.35100    2
  Found two species comparison        qtz         anao     1.00000     0.50000  -173.42935  -185.35100    3
  Found two species comparison        coes        anao     1.00000     0.50000  -175.51573  -185.35100    4
  Found two species comparison        st          anao     1.00000     0.50000  -184.45697  -185.35100    5
  Found two species comparison        apbo        anao     1.00000     0.50000  -181.73410  -185.35100    6
  Found one species comparison        nacf     1.00000  -185.35100  -185.35100    7
  Found one species comparison        nnal     0.33333  -185.23929  -185.35100    8
  Found one species comparison        neph     1.00000  -167.51866  -185.35100    9
 307 nacf               1.00   0.00   0.00   0.00   1.00   1.00   4.00
Number of non-zero components,phases,Gapp    4    1      -199.98645        21.00000      1473.00000
  Found two species comparison        ab          anao     0.33333     0.33333  -186.78949  -199.98645    1
  Found two species comparison        jd          anao     0.50000     0.25000  -199.62154  -199.98645    2
  Found two species comparison        qtz         anao     1.00000     0.50000  -187.79831  -199.98645    3
  Found two species comparison        coes        anao     1.00000     0.50000  -189.97505  -199.98645    4
  Found two species comparison        st          anao     1.00000     0.50000  -197.82612  -199.98645    5
  Found two species comparison        apbo        anao     1.00000     0.50000  -195.00168  -199.98645    6
  Found one species comparison        nacf     1.00000  -199.98645  -199.98645    7
  Found one species comparison        nnal     0.33333  -199.11531  -199.98645    8
  Found one species comparison        neph     1.00000  -182.55067  -199.98645    9
 308 nacf               1.00   0.00   0.00   0.00   1.00   1.00   4.00
Number of non-zero components,phases,Gapp    4    1      -195.07494        22.00000      1473.00000
  Found two species comparison        ab          anao     0.33333     0.33333  -181.02457  -195.07494    1
  Found two species comparison        jd          anao     0.50000     0.25000  -194.19865  -195.07494    2
  Found two species comparison        qtz         anao     1.00000     0.50000  -182.23920  -195.07494    3
  Found two species comparison        coes        anao     1.00000     0.50000  -184.45628  -195.07494    4
  Found two species comparison        st          anao     1.00000     0.50000  -192.90359  -195.07494    5
  Found two species comparison        apbo        anao     1.00000     0.50000  -190.12136  -195.07494    6
  Found one species comparison        nacf     1.00000  -195.07494  -195.07494    7
  Found one species comparison        nnal     0.33333  -194.21266  -195.07494    8
  Found one species comparison        neph     1.00000  -176.44524  -195.07494    9
 309 nacf               1.00   0.00   0.00   0.00   1.00   1.00   4.00
Number of non-zero components,phases,Gapp    4    1      -190.18134        23.00000      1473.00000
  Found two species comparison        ab          anao     0.33333     0.33333  -175.30472  -190.18134    1
  Found two species comparison        jd          anao     0.50000     0.25000  -188.80011  -190.18134    2
  Found two species comparison        qtz         anao     1.00000     0.50000  -176.71487  -190.18134    3
  Found two species comparison        coes        anao     1.00000     0.50000  -178.96737  -190.18134    4
  Found two species comparison        st          anao     1.00000     0.50000  -188.00041  -190.18134    5
  Found two species comparison        apbo        anao     1.00000     0.50000  -185.25998  -190.18134    6
  Found one species comparison        nacf     1.00000  -190.18134  -190.18134    7
  Found one species comparison        nnal     0.33333  -189.32851  -190.18134    8
  Found one species comparison        neph     1.00000  -170.39689  -190.18134    9
 310 nacf               1.00   0.00   0.00   0.00   1.00   1.00   4.00
Number of non-zero components,phases,Gapp    4    1      -236.56294        18.00000      1873.00000
  Found two species comparison        ab          anao     0.33333     0.33333  -224.99887  -236.56294    1
  Found two species comparison        jd          anao     0.50000     0.25000  -236.03804  -236.56294    2
  Found two species comparison        qtz         anao     1.00000     0.50000  -224.55755  -236.56294    3
  Found two species comparison        coes        anao     1.00000     0.50000  -226.76130  -236.56294    4
  Found two species comparison        st          anao     1.00000     0.50000  -231.84472  -236.56294    5
  Found two species comparison        apbo        anao     1.00000     0.50000  -228.76609  -236.56294    6
  Found one species comparison        nacf     1.00000  -236.56294  -236.56294    7
  Found one species comparison        nnal     0.33333  -234.12138  -236.56294    8
  Found one species comparison        neph     1.00000  -221.62247  -236.56294    9
 311 nacf               1.00   0.00   0.00   0.00   1.00   1.00   4.00
Number of non-zero components,phases,Gapp    4    1      -192.01861        27.00000      1873.00000
  Found two species comparison        ab          anao     0.33333     0.33333  -173.03749  -192.01861    1
  Found two species comparison        jd          anao     0.50000     0.25000  -187.04091  -192.01861    2
  Found two species comparison        qtz         anao     1.00000     0.50000  -174.32422  -192.01861    3
  Found two species comparison        coes        anao     1.00000     0.50000  -176.97242  -192.01861    4
  Found two species comparison        st          anao     1.00000     0.50000  -187.23595  -192.01861    5
  Found two species comparison        apbo        anao     1.00000     0.50000  -184.54177  -192.01861    6
  Found one species comparison        nacf     1.00000  -192.01861  -192.01861    7
  Found one species comparison        nnal     0.33333  -189.69423  -192.01861    8
  Found one species comparison        neph     1.00000  -166.29062  -192.01861    9
 312 spjdanao           4.00   4.00   0.00   0.00  14.00   6.00  36.00
Number of non-zero components,phases,Gapp    5    3      -248.40228        13.00000      1273.00000
Found three species comparison        ab          sp          anao     1.33333     1.00000     2.33333  -244.20006  -248.40228    1
 Found four species comparison        ab          fo          co          anao     0.66667     2.00000     4.00000     2.66667  -245.91932  -248.40228    2
 Found four species comparison        ab          fo          alpv        anao     0.66667     2.00000     4.00000     2.66667  -242.90549  -248.40228    3
 Found four species comparison        ab          fo          appv        anao     0.66667     2.00000     4.00000     2.66667  -233.60509  -248.40228    4
 Found four species comparison        ab          mgwa        co          anao     0.66667     2.00000     4.00000     2.66667  -245.92870  -248.40228    5
 Found four species comparison        ab          mgwa        alpv        anao     0.66667     2.00000     4.00000     2.66667  -242.91487  -248.40228    6
 Found four species comparison        ab          mgwa        appv        anao     0.66667     2.00000     4.00000     2.66667  -233.61447  -248.40228    7
 Found four species comparison        ab          mgri        co          anao     0.66667     2.00000     4.00000     2.66667  -245.82121  -248.40228    8
 Found four species comparison        ab          mgri        alpv        anao     0.66667     2.00000     4.00000     2.66667  -242.80738  -248.40228    9
 Found four species comparison        ab          mgri        appv        anao     0.66667     2.00000     4.00000     2.66667  -233.50699  -248.40228   10
 Found four species comparison        ab          co          pe          anao     1.33333     4.00000     1.00000     2.33333  -244.08957  -248.40228   11
 Found four species comparison        ab          alpv        pe          anao     1.33333     4.00000     1.00000     2.33333  -241.07574  -248.40228   12
 Found four species comparison        ab          appv        pe          anao     1.33333     4.00000     1.00000     2.33333  -231.77534  -248.40228   13
Found three species comparison        ab          anao        mgcf     1.33333     2.33333     4.00000  -243.29625  -248.40228   14
Found three species comparison        ab          anao        mnal     0.66667     1.66667     2.00000  -246.03590  -248.40228   15
 Found four species comparison        sp          fo          anao        ky       0.33333     1.33333     3.00000     2.66667  -246.59098  -248.40228   16
 Found four species comparison        sp          mgwa        anao        ky       0.33333     1.33333     3.00000     2.66667  -246.59724  -248.40228   17
 Found four species comparison        sp          mgri        anao        ky       0.33333     1.33333     3.00000     2.66667  -246.52558  -248.40228   18
 Found four species comparison        sp          en          anao        ky       0.50000     1.00000     3.00000     2.00000  -246.52232  -248.40228   19
 Found four species comparison        sp          cen         anao        ky       0.50000     1.00000     3.00000     2.00000  -246.38827  -248.40228   20
Found three species comparison        sp          jd          anao     1.00000     2.00000     2.00000  -248.40228  -248.40228   21
 Found four species comparison        sp          mgc2        anao        ky       0.50000     1.00000     3.00000     2.00000  -246.59473  -248.40228   22
 Found four species comparison        sp          mgil        anao        ky       0.50000     2.00000     3.00000     2.00000  -246.30776  -248.40228   23
 Found four species comparison        sp          co          namj        anao     0.80000     1.60000     0.80000     2.20000  -246.74459  -248.40228   24
 Found four species comparison        sp          py          anao        ky       0.40000     0.80000     3.00000     1.60000  -247.37124  -248.40228   25
 Found four species comparison        sp          mgmj        anao        ky       0.50000     0.50000     3.00000     2.00000  -246.34895  -248.40228   26
 Found four species comparison        sp          namj        alpv        anao     0.80000     0.80000     1.60000     2.20000  -245.53906  -248.40228   27
 Found four species comparison        sp          namj        appv        anao     0.80000     0.80000     1.60000     2.20000  -241.81890  -248.40228   28
 Found four species comparison        sp          namj        anao        ky       0.85714     0.57143     2.42857     1.14286  -246.55105  -248.40228   29
Found three species comparison        sp          qtz         anao     1.00000     4.00000     3.00000  -243.91484  -248.40228   30
Found three species comparison        sp          coes        anao     1.00000     4.00000     3.00000  -244.60229  -248.40228   31
Found three species comparison        sp          st          anao     1.00000     4.00000     3.00000  -245.96457  -248.40228   32
Found three species comparison        sp          apbo        anao     1.00000     4.00000     3.00000  -244.60199  -248.40228   33
 Found four species comparison        sp          mgpv        anao        ky       0.50000     2.00000     3.00000     2.00000  -245.73408  -248.40228   34
 Found four species comparison        sp          mppv        anao        ky       0.50000     2.00000     3.00000     2.00000  -244.32640  -248.40228   35
Found three species comparison        sp          anao        nacf     1.00000     1.00000     4.00000  -246.28099  -248.40228   36
Found three species comparison        sp          anao        nnal     1.00000     1.00000     1.33333  -246.21579  -248.40228   37
Found three species comparison        sp          anao        neph     1.00000     1.00000     4.00000  -243.83216  -248.40228   38
 Found four species comparison        fo          jd          co          anao     2.00000     1.00000     4.00000     2.50000  -248.02043  -248.40228   39
 Found four species comparison        fo          jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -245.00660  -248.40228   40
 Found four species comparison        fo          jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -235.70620  -248.40228   41
 Found four species comparison        fo          co          namj        anao     1.77778     4.44444     0.44444     2.55556  -247.14192  -248.40228   42
 Found four species comparison        fo          co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -245.77671  -248.40228   43
 Found four species comparison        fo          co          coes        anao     2.00000     4.00000     2.00000     3.00000  -246.12043  -248.40228   44
 Found four species comparison        fo          co          st          anao     2.00000     4.00000     2.00000     3.00000  -246.80157  -248.40228   45
 Found four species comparison        fo          co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -246.12029  -248.40228   46
 Found four species comparison        fo          co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -246.95979  -248.40228   47
 Found four species comparison        fo          co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -246.92719  -248.40228   48
 Found four species comparison        fo          co          anao        ky       2.00000     2.00000     3.00000     2.00000  -246.85288  -248.40228   49
 Found four species comparison        fo          co          anao        neph     2.00000     4.00000     2.00000     2.00000  -245.73537  -248.40228   50
 Found four species comparison        fo          namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -243.79322  -248.40228   51
 Found four species comparison        fo          namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -233.45945  -248.40228   52
 Found four species comparison        fo          qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -242.76288  -248.40228   53
 Found four species comparison        fo          qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -233.46248  -248.40228   54
 Found four species comparison        fo          coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -243.10661  -248.40228   55
 Found four species comparison        fo          coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -233.80621  -248.40228   56
 Found four species comparison        fo          st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -243.78775  -248.40228   57
 Found four species comparison        fo          st          appv        anao     2.00000     2.00000     4.00000     3.00000  -234.48735  -248.40228   58
 Found four species comparison        fo          apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -243.10646  -248.40228   59
 Found four species comparison        fo          apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -233.80606  -248.40228   60
 Found four species comparison        fo          alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -243.94596  -248.40228   61
 Found four species comparison        fo          alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -243.91336  -248.40228   62
 Found four species comparison        fo          alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -245.34597  -248.40228   63
 Found four species comparison        fo          alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -242.72154  -248.40228   64
 Found four species comparison        fo          appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -234.64556  -248.40228   65
 Found four species comparison        fo          appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -234.61296  -248.40228   66
 Found four species comparison        fo          appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -240.69577  -248.40228   67
 Found four species comparison        fo          appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -233.42114  -248.40228   68
 Found four species comparison        fo          anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -246.28971  -248.40228   69
 Found four species comparison        fo          anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -246.91117  -248.40228   70
 Found four species comparison        mgwa        jd          co          anao     2.00000     1.00000     4.00000     2.50000  -248.02981  -248.40228   71
 Found four species comparison        mgwa        jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -245.01598  -248.40228   72
 Found four species comparison        mgwa        jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -235.71558  -248.40228   73
 Found four species comparison        mgwa        co          namj        anao     1.77778     4.44444     0.44444     2.55556  -247.15026  -248.40228   74
 Found four species comparison        mgwa        co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -245.78609  -248.40228   75
 Found four species comparison        mgwa        co          coes        anao     2.00000     4.00000     2.00000     3.00000  -246.12981  -248.40228   76
 Found four species comparison        mgwa        co          st          anao     2.00000     4.00000     2.00000     3.00000  -246.81095  -248.40228   77
 Found four species comparison        mgwa        co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -246.12966  -248.40228   78
 Found four species comparison        mgwa        co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -246.96916  -248.40228   79
 Found four species comparison        mgwa        co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -246.93657  -248.40228   80
 Found four species comparison        mgwa        co          anao        ky       2.00000     2.00000     3.00000     2.00000  -246.86226  -248.40228   81
 Found four species comparison        mgwa        co          anao        neph     2.00000     4.00000     2.00000     2.00000  -245.74475  -248.40228   82
 Found four species comparison        mgwa        namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -243.80156  -248.40228   83
 Found four species comparison        mgwa        namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -233.46778  -248.40228   84
 Found four species comparison        mgwa        qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -242.77226  -248.40228   85
 Found four species comparison        mgwa        qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -233.47186  -248.40228   86
 Found four species comparison        mgwa        coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -243.11598  -248.40228   87
 Found four species comparison        mgwa        coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -233.81558  -248.40228   88
 Found four species comparison        mgwa        st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -243.79712  -248.40228   89
 Found four species comparison        mgwa        st          appv        anao     2.00000     2.00000     4.00000     3.00000  -234.49672  -248.40228   90
 Found four species comparison        mgwa        apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -243.11583  -248.40228   91
 Found four species comparison        mgwa        apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -233.81543  -248.40228   92
 Found four species comparison        mgwa        alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -243.95534  -248.40228   93
 Found four species comparison        mgwa        alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -243.92274  -248.40228   94
 Found four species comparison        mgwa        alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -245.35535  -248.40228   95
 Found four species comparison        mgwa        alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -242.73092  -248.40228   96
 Found four species comparison        mgwa        appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -234.65494  -248.40228   97
 Found four species comparison        mgwa        appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -234.62234  -248.40228   98
 Found four species comparison        mgwa        appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -240.70515  -248.40228   99
 Found four species comparison        mgwa        appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -233.43052  -248.40228  100
 Found four species comparison        mgwa        anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -246.29596  -248.40228  101
 Found four species comparison        mgwa        anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -246.91586  -248.40228  102
 Found four species comparison        mgri        jd          co          anao     2.00000     1.00000     4.00000     2.50000  -247.92232  -248.40228  103
 Found four species comparison        mgri        jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -244.90850  -248.40228  104
 Found four species comparison        mgri        jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -235.60810  -248.40228  105
 Found four species comparison        mgri        co          namj        anao     1.77778     4.44444     0.44444     2.55556  -247.05471  -248.40228  106
 Found four species comparison        mgri        co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -245.67860  -248.40228  107
 Found four species comparison        mgri        co          coes        anao     2.00000     4.00000     2.00000     3.00000  -246.02233  -248.40228  108
 Found four species comparison        mgri        co          st          anao     2.00000     4.00000     2.00000     3.00000  -246.70347  -248.40228  109
 Found four species comparison        mgri        co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -246.02218  -248.40228  110
 Found four species comparison        mgri        co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -246.86168  -248.40228  111
 Found four species comparison        mgri        co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -246.82908  -248.40228  112
 Found four species comparison        mgri        co          anao        ky       2.00000     2.00000     3.00000     2.00000  -246.75478  -248.40228  113
 Found four species comparison        mgri        co          anao        neph     2.00000     4.00000     2.00000     2.00000  -245.63726  -248.40228  114
 Found four species comparison        mgri        namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -243.70602  -248.40228  115
 Found four species comparison        mgri        namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -233.37224  -248.40228  116
 Found four species comparison        mgri        qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -242.66478  -248.40228  117
 Found four species comparison        mgri        qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -233.36438  -248.40228  118
 Found four species comparison        mgri        coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -243.00850  -248.40228  119
 Found four species comparison        mgri        coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -233.70810  -248.40228  120
 Found four species comparison        mgri        st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -243.68964  -248.40228  121
 Found four species comparison        mgri        st          appv        anao     2.00000     2.00000     4.00000     3.00000  -234.38924  -248.40228  122
 Found four species comparison        mgri        apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -243.00835  -248.40228  123
 Found four species comparison        mgri        apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -233.70795  -248.40228  124
 Found four species comparison        mgri        alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -243.84785  -248.40228  125
 Found four species comparison        mgri        alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -243.81525  -248.40228  126
 Found four species comparison        mgri        alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -245.24786  -248.40228  127
 Found four species comparison        mgri        alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -242.62343  -248.40228  128
 Found four species comparison        mgri        appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -234.54745  -248.40228  129
 Found four species comparison        mgri        appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -234.51485  -248.40228  130
 Found four species comparison        mgri        appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -240.59766  -248.40228  131
 Found four species comparison        mgri        appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -233.32304  -248.40228  132
 Found four species comparison        mgri        anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -246.22431  -248.40228  133
 Found four species comparison        mgri        anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -246.86212  -248.40228  134
Found three species comparison        en          co          anao     2.00000     4.00000     3.00000  -246.97745  -248.40228  135
Found three species comparison        en          alpv        anao     2.00000     4.00000     3.00000  -243.96362  -248.40228  136
Found three species comparison        en          appv        anao     2.00000     4.00000     3.00000  -234.66322  -248.40228  137
 Found four species comparison        en          anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -246.07041  -248.40228  138
 Found four species comparison        en          anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -246.97212  -248.40228  139
  Found two species comparison        mgts        anao     4.00000     3.00000  -244.80569  -248.40228  140
Found three species comparison        cen         co          anao     2.00000     4.00000     3.00000  -246.70935  -248.40228  141
Found three species comparison        cen         alpv        anao     2.00000     4.00000     3.00000  -243.69552  -248.40228  142
Found three species comparison        cen         appv        anao     2.00000     4.00000     3.00000  -234.39512  -248.40228  143
 Found four species comparison        cen         anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -245.93636  -248.40228  144
 Found four species comparison        cen         anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -246.88276  -248.40228  145
 Found four species comparison        jd          co          pe          anao     2.00000     4.00000     1.00000     2.00000  -248.27049  -248.40228  146
 Found four species comparison        jd          alpv        pe          anao     2.00000     4.00000     1.00000     2.00000  -245.25666  -248.40228  147
 Found four species comparison        jd          appv        pe          anao     2.00000     4.00000     1.00000     2.00000  -235.95626  -248.40228  148
Found three species comparison        jd          anao        mgcf     2.00000     2.00000     4.00000  -247.49847  -248.40228  149
Found three species comparison        jd          anao        mnal     1.00000     1.50000     2.00000  -248.13701  -248.40228  150
Found three species comparison        mgc2        co          anao     2.00000     4.00000     3.00000  -247.12228  -248.40228  151
Found three species comparison        mgc2        alpv        anao     2.00000     4.00000     3.00000  -244.10845  -248.40228  152
Found three species comparison        mgc2        appv        anao     2.00000     4.00000     3.00000  -234.80805  -248.40228  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -246.14283  -248.40228  154
 Found four species comparison        mgc2        anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -247.02040  -248.40228  155
Found three species comparison        mgil        co          anao     4.00000     4.00000     3.00000  -246.52782  -248.40228  156
Found three species comparison        mgil        alpv        anao     4.00000     4.00000     3.00000  -243.53451  -248.40228  157
Found three species comparison        mgil        appv        anao     4.00000     4.00000     3.00000  -234.23411  -248.40228  158
 Found four species comparison        mgil        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -245.85586  -248.40228  159
 Found four species comparison        mgil        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -246.82909  -248.40228  160
Found three species comparison        co          py          anao     2.66667     1.33333     3.00000  -248.24062  -248.40228  161
Found three species comparison        co          mgmj        anao     4.00000     1.00000     3.00000  -246.63072  -248.40228  162
 Found four species comparison        co          namj        pe          anao     4.80000     0.80000     0.80000     2.20000  -246.67948  -248.40228  163
 Found four species comparison        co          namj        anao        mgcf     1.60000     0.80000     2.20000     3.20000  -246.02154  -248.40228  164
 Found four species comparison        co          namj        anao        mnal     0.88889     0.44444     1.66667     1.77778  -247.24554  -248.40228  165
 Found four species comparison        co          qtz         pe          anao     4.00000     4.00000     1.00000     3.00000  -243.85159  -248.40228  166
 Found four species comparison        co          coes        pe          anao     4.00000     4.00000     1.00000     3.00000  -244.53903  -248.40228  167
 Found four species comparison        co          st          pe          anao     4.00000     4.00000     1.00000     3.00000  -245.90131  -248.40228  168
 Found four species comparison        co          apbo        pe          anao     4.00000     4.00000     1.00000     3.00000  -244.53873  -248.40228  169
Found three species comparison        co          mgpv        anao     4.00000     4.00000     3.00000  -245.40098  -248.40228  170
Found three species comparison        co          mppv        anao     4.00000     4.00000     3.00000  -242.58562  -248.40228  171
 Found four species comparison        co          pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -246.11556  -248.40228  172
 Found four species comparison        co          pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -246.05037  -248.40228  173
 Found four species comparison        co          pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -243.66673  -248.40228  174
Found three species comparison        py          alpv        anao     1.33333     2.66667     3.00000  -246.23140  -248.40228  175
Found three species comparison        py          appv        anao     1.33333     2.66667     3.00000  -240.03113  -248.40228  176
 Found four species comparison        py          anao        mgcf        ky       0.80000     3.00000     1.60000     1.60000  -247.00972  -248.40228  177
 Found four species comparison        py          anao        mnal        ky       0.57143     2.42857     1.14286     1.14286  -247.51424  -248.40228  178
Found three species comparison        mgmj        alpv        anao     1.00000     4.00000     3.00000  -243.61689  -248.40228  179
Found three species comparison        mgmj        appv        anao     1.00000     4.00000     3.00000  -234.31649  -248.40228  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.50000     3.00000     2.00000     2.00000  -245.89704  -248.40228  181
 Found four species comparison        mgmj        anao        mnal        ky       0.33333     2.33333     1.33333     1.33333  -246.85655  -248.40228  182
 Found four species comparison        namj        alpv        pe          anao     0.80000     4.80000     0.80000     2.20000  -243.06288  -248.40228  183
 Found four species comparison        namj        alpv        anao        mgcf     0.80000     1.60000     2.20000     3.20000  -244.81601  -248.40228  184
 Found four species comparison        namj        alpv        anao        mnal     0.44444     0.88889     1.66667     1.77778  -246.57580  -248.40228  185
 Found four species comparison        namj        appv        pe          anao     0.80000     4.80000     0.80000     2.20000  -231.90240  -248.40228  186
 Found four species comparison        namj        appv        anao        mgcf     0.80000     1.60000     2.20000     3.20000  -241.09585  -248.40228  187
 Found four species comparison        namj        appv        anao        mnal     0.44444     0.88889     1.66667     1.77778  -244.50905  -248.40228  188
 Found four species comparison        namj        anao        mgcf        ky       0.57143     2.42857     3.42857     1.14286  -245.77635  -248.40228  189
 Found four species comparison        namj        anao        mnal        ky       0.30769     1.76923     1.84615     0.61538  -247.16059  -248.40228  190
 Found four species comparison        qtz         alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -240.83776  -248.40228  191
 Found four species comparison        qtz         appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -231.53736  -248.40228  192
Found three species comparison        qtz         anao        mgcf     4.00000     3.00000     4.00000  -243.01103  -248.40228  193
Found three species comparison        qtz         anao        mnal     2.00000     2.00000     2.00000  -245.89329  -248.40228  194
 Found four species comparison        coes        alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -241.52520  -248.40228  195
 Found four species comparison        coes        appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -232.22480  -248.40228  196
Found three species comparison        coes        anao        mgcf     4.00000     3.00000     4.00000  -243.69847  -248.40228  197
Found three species comparison        coes        anao        mnal     2.00000     2.00000     2.00000  -246.23701  -248.40228  198
 Found four species comparison        st          alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -242.88748  -248.40228  199
 Found four species comparison        st          appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -233.58708  -248.40228  200
Found three species comparison        st          anao        mgcf     4.00000     3.00000     4.00000  -245.06075  -248.40228  201
Found three species comparison        st          anao        mnal     2.00000     2.00000     2.00000  -246.91815  -248.40228  202
 Found four species comparison        apbo        alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -241.52490  -248.40228  203
 Found four species comparison        apbo        appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -232.22450  -248.40228  204
Found three species comparison        apbo        anao        mgcf     4.00000     3.00000     4.00000  -243.69817  -248.40228  205
Found three species comparison        apbo        anao        mnal     2.00000     2.00000     2.00000  -246.23686  -248.40228  206
Found three species comparison        mgpv        alpv        anao     4.00000     4.00000     3.00000  -243.12815  -248.40228  207
Found three species comparison        mgpv        appv        anao     4.00000     4.00000     3.00000  -233.08675  -248.40228  208
 Found four species comparison        mgpv        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -245.28218  -248.40228  209
 Found four species comparison        mgpv        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -246.44663  -248.40228  210
Found three species comparison        alpv        mppv        anao     4.00000     4.00000     3.00000  -239.57179  -248.40228  211
 Found four species comparison        alpv        pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -243.10173  -248.40228  212
 Found four species comparison        alpv        pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -243.03654  -248.40228  213
 Found four species comparison        alpv        pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -240.65290  -248.40228  214
Found three species comparison        mppv        appv        anao     4.00000     4.00000     3.00000  -231.01177  -248.40228  215
 Found four species comparison        mppv        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -243.87450  -248.40228  216
 Found four species comparison        mppv        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -245.50818  -248.40228  217
 Found four species comparison        appv        pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -233.80134  -248.40228  218
 Found four species comparison        appv        pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -233.73614  -248.40228  219
 Found four species comparison        appv        pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -231.35250  -248.40228  220
Found three species comparison        pe          anao        ky       1.00000     3.00000     4.00000  -246.00393  -248.40228  221
Found three species comparison        anao        mgcf        nacf     1.00000     4.00000     4.00000  -246.07272  -248.40228  222
Found three species comparison        anao        mgcf        nnal     1.00000     4.00000     1.33333  -245.31198  -248.40228  223
Found three species comparison        anao        mgcf        neph     1.00000     4.00000     4.00000  -242.92834  -248.40228  224
Found three species comparison        anao        nacf        mnal     1.00000     2.00000     2.00000  -247.07636  -248.40228  225
Found three species comparison        anao        mnal        nnal     1.00000     2.00000     0.66667  -248.14990  -248.40228  226
Found three species comparison        anao        mnal        neph     1.00000     2.00000     2.00000  -245.85195  -248.40228  227
 313 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -244.04176        14.50000      1273.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -238.43949  -244.04176    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -240.76792  -244.04176    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -237.37884  -244.04176    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -226.84472  -244.04176    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -240.89167  -244.04176    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -237.50259  -244.04176    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -226.96847  -244.04176    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -240.81522  -244.04176    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -237.42614  -244.04176    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -226.89202  -244.04176   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -238.50675  -244.04176   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -235.11767  -244.04176   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -224.58354  -244.04176   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -237.71311  -244.04176   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -241.21326  -244.04176   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -241.71633  -244.04176   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -241.79883  -244.04176   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -241.74786  -244.04176   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -241.61082  -244.04176   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -241.45091  -244.04176   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -243.63408  -244.04176   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -241.71851  -244.04176   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -241.55561  -244.04176   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -242.02871  -244.04176   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -242.68250  -244.04176   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -241.51056  -244.04176   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -240.67307  -244.04176   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -236.45942  -244.04176   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -241.74231  -244.04176   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -238.33655  -244.04176   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -239.18408  -244.04176   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -241.26098  -244.04176   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -239.73767  -244.04176   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -240.98175  -244.04176   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -239.41270  -244.04176   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -241.64190  -244.04176   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -241.56817  -244.04176   37
  Found two species comparison        sp          neph     1.50000     6.00000  -237.68096  -244.04176   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -243.36522  -244.04176   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -239.97614  -244.04176   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -229.44202  -244.04176   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -242.50322  -244.04176   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -240.71645  -244.04176   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -241.14022  -244.04176   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -242.17867  -244.04176   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -241.41701  -244.04176   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -242.36913  -244.04176   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -242.33226  -244.04176   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -242.06134  -244.04176   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -240.38866  -244.04176   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -238.73757  -244.04176   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -227.03299  -244.04176   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -237.32737  -244.04176   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -226.79325  -244.04176   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -237.75114  -244.04176   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -227.21701  -244.04176   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -238.78959  -244.04176   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -228.25547  -244.04176   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -238.02793  -244.04176   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -227.49381  -244.04176   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -238.98005  -244.04176   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -238.94318  -244.04176   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -240.36680  -244.04176   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -236.99958  -244.04176   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -228.44592  -244.04176   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -228.40906  -244.04176   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -235.09973  -244.04176   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -226.46546  -244.04176   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -241.47420  -244.04176   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -242.28400  -244.04176   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -243.48897  -244.04176   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -240.09989  -244.04176   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -229.56577  -244.04176   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -242.61322  -244.04176   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -240.84020  -244.04176   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -241.26397  -244.04176   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -242.30242  -244.04176   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -241.54076  -244.04176   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -242.49288  -244.04176   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -242.45601  -244.04176   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -242.18509  -244.04176   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -240.51241  -244.04176   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -238.84757  -244.04176   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -227.14299  -244.04176   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -237.45112  -244.04176   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -226.91700  -244.04176   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -237.87489  -244.04176   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -227.34076  -244.04176   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -238.91334  -244.04176   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -228.37922  -244.04176   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -238.15168  -244.04176   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -227.61756  -244.04176   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -239.10380  -244.04176   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -239.06693  -244.04176   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -240.49055  -244.04176   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -237.12333  -244.04176   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -228.56967  -244.04176   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -228.53281  -244.04176   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -235.22348  -244.04176   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -226.58921  -244.04176  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -241.55670  -244.04176  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -242.34588  -244.04176  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -243.41252  -244.04176  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -240.02344  -244.04176  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -229.48932  -244.04176  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -242.54526  -244.04176  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -240.76375  -244.04176  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -241.18752  -244.04176  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -242.22597  -244.04176  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -241.46431  -244.04176  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -242.41643  -244.04176  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -242.37957  -244.04176  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -242.10864  -244.04176  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -240.43596  -244.04176  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -238.77962  -244.04176  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -227.07503  -244.04176  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -237.37467  -244.04176  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -226.84055  -244.04176  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -237.79844  -244.04176  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -227.26431  -244.04176  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -238.83689  -244.04176  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -228.30277  -244.04176  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -238.07523  -244.04176  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -227.54111  -244.04176  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -239.02735  -244.04176  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -238.99049  -244.04176  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -240.41410  -244.04176  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -237.04688  -244.04176  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -228.49322  -244.04176  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -228.45636  -244.04176  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -235.14703  -244.04176  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -226.51276  -244.04176  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -241.50574  -244.04176  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -242.30766  -244.04176  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -242.19532  -244.04176  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -238.80624  -244.04176  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -228.27211  -244.04176  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -241.24763  -244.04176  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -242.40289  -244.04176  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -239.61832  -244.04176  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -241.87551  -244.04176  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -238.48643  -244.04176  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -227.95231  -244.04176  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -241.08772  -244.04176  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -242.29629  -244.04176  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -243.69779  -244.04176  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -240.30871  -244.04176  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -229.77459  -244.04176  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -242.90771  -244.04176  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -243.81056  -244.04176  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -242.41071  -244.04176  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -239.02163  -244.04176  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -228.48751  -244.04176  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -241.35532  -244.04176  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -242.47469  -244.04176  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -242.06145  -244.04176  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -238.69582  -244.04176  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -228.16170  -244.04176  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -241.19242  -244.04176  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -242.36608  -244.04176  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -243.78662  -244.04176  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -241.99481  -244.04176  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -242.08741  -244.04176  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -241.44760  -244.04176  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -242.89907  -244.04176  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -238.43870  -244.04176  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -239.28623  -244.04176  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -241.36313  -244.04176  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -239.83982  -244.04176  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -240.93718  -244.04176  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -237.79909  -244.04176  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -241.72896  -244.04176  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -241.65524  -244.04176  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -237.76803  -244.04176  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -241.52723  -244.04176  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -234.50448  -244.04176  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -242.39194  -244.04176  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -243.05522  -244.04176  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -238.60573  -244.04176  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -228.07161  -244.04176  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -241.14737  -244.04176  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -242.33605  -244.04176  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -238.02051  -244.04176  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -240.09197  -244.04176  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -242.14594  -244.04176  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -225.37956  -244.04176  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -235.87832  -244.04176  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -239.80503  -244.04176  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -241.11970  -244.04176  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -242.77834  -244.04176  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -235.04962  -244.04176  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -224.51549  -244.04176  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -237.61017  -244.04176  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -241.16179  -244.04176  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -235.89715  -244.04176  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -225.36302  -244.04176  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -238.45770  -244.04176  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -241.58556  -244.04176  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -237.97405  -244.04176  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -227.43993  -244.04176  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -240.53461  -244.04176  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -242.62401  -244.04176  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -236.45074  -244.04176  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -225.91661  -244.04176  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -239.01129  -244.04176  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -241.86235  -244.04176  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -238.39496  -244.04176  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -227.01398  -244.04176  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -240.61856  -244.04176  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -241.98351  -244.04176  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -234.41001  -244.04176  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -238.33988  -244.04176  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -238.26616  -244.04176  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -234.37895  -244.04176  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -224.72203  -244.04176  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -239.04952  -244.04176  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -240.93748  -244.04176  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -227.80576  -244.04176  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -227.73203  -244.04176  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -223.84482  -244.04176  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -241.12846  -244.04176  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -241.71043  -244.04176  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -240.84180  -244.04176  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -236.95459  -244.04176  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -242.81447  -244.04176  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -244.04176  -244.04176  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -240.83400  -244.04176  227
 314 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -239.02161        15.50000      1273.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -232.71656  -239.02161    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -235.27916  -239.02161    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -231.92706  -239.02161    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -221.45624  -239.02161    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -235.47601  -239.02161    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -232.12391  -239.02161    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -221.65309  -239.02161    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -235.42964  -239.02161    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -232.07754  -239.02161    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -221.60672  -239.02161   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -232.95075  -239.02161   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -229.59865  -239.02161   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -219.12783  -239.02161   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -232.19301  -239.02161   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -235.92886  -239.02161   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -236.34154  -239.02161   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -236.47277  -239.02161   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -236.44185  -239.02161   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -236.21743  -239.02161   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -236.05371  -239.02161   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -238.15594  -239.02161   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -236.34166  -239.02161   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -236.28611  -239.02161   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -236.74005  -239.02161   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -237.35534  -239.02161   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -236.18104  -239.02161   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -235.39921  -239.02161   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -231.21088  -239.02161   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -236.41187  -239.02161   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -232.75446  -239.02161   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -233.63835  -239.02161   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -236.05382  -239.02161   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -234.55281  -239.02161   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -235.76611  -239.02161   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -234.22313  -239.02161   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -236.44635  -239.02161   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -236.37373  -239.02161   37
  Found two species comparison        sp          neph     1.50000     6.00000  -231.74646  -239.02161   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -237.99885  -239.02161   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -234.64676  -239.02161   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -224.17594  -239.02161   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -237.22970  -239.02161   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -235.29811  -239.02161   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -235.74006  -239.02161   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -236.94779  -239.02161   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -236.19729  -239.02161   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -237.14406  -239.02161   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -237.10775  -239.02161   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -236.71659  -239.02161   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -234.79411  -239.02161   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -233.50515  -239.02161   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -221.87090  -239.02161   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -231.94602  -239.02161   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -221.47520  -239.02161   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.38796  -239.02161   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -221.91714  -239.02161   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -233.59570  -239.02161   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -223.12488  -239.02161   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.84519  -239.02161   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -222.37437  -239.02161   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -233.79196  -239.02161   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -233.75565  -239.02161   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -235.04055  -239.02161   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -231.44202  -239.02161   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -223.32114  -239.02161   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -223.28483  -239.02161   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -229.80514  -239.02161   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -220.97120  -239.02161   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -236.16702  -239.02161   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -237.04145  -239.02161   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -238.19570  -239.02161   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -234.84361  -239.02161   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -224.37279  -239.02161   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -237.40468  -239.02161   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -235.49496  -239.02161   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -235.93691  -239.02161   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -237.14464  -239.02161   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -236.39414  -239.02161   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -237.34091  -239.02161   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -237.30460  -239.02161   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -236.91344  -239.02161   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -234.99096  -239.02161   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -233.68012  -239.02161   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -222.04588  -239.02161   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.14287  -239.02161   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -221.67205  -239.02161   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.58481  -239.02161   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -222.11399  -239.02161   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -233.79255  -239.02161   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -223.32173  -239.02161   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -233.04204  -239.02161   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -222.57122  -239.02161   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -233.98881  -239.02161   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -233.95250  -239.02161   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -235.23739  -239.02161   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -231.63886  -239.02161   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -223.51799  -239.02161   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -223.48168  -239.02161   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -230.00199  -239.02161   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -221.16804  -239.02161  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -236.29826  -239.02161  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -237.13987  -239.02161  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -238.14933  -239.02161  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -234.79723  -239.02161  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -224.32641  -239.02161  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -237.36346  -239.02161  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -235.44859  -239.02161  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -235.89053  -239.02161  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -237.09827  -239.02161  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -236.34777  -239.02161  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -237.29454  -239.02161  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -237.25823  -239.02161  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -236.86707  -239.02161  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -234.94459  -239.02161  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -233.63891  -239.02161  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -222.00466  -239.02161  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.09649  -239.02161  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -221.62567  -239.02161  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.53844  -239.02161  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -222.06762  -239.02161  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -233.74617  -239.02161  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -223.27535  -239.02161  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.99567  -239.02161  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -222.52485  -239.02161  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -233.94244  -239.02161  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -233.90613  -239.02161  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -235.19102  -239.02161  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -231.59249  -239.02161  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -223.47162  -239.02161  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -223.43531  -239.02161  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -229.95561  -239.02161  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -221.12167  -239.02161  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -236.26734  -239.02161  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -237.11668  -239.02161  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -236.84344  -239.02161  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -233.49134  -239.02161  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -223.02052  -239.02161  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -235.95566  -239.02161  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -237.19201  -239.02161  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -234.20832  -239.02161  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -236.51600  -239.02161  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -233.16390  -239.02161  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -222.69308  -239.02161  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -235.79194  -239.02161  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -237.08287  -239.02161  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -238.38658  -239.02161  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -235.03448  -239.02161  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -224.56366  -239.02161  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -237.63240  -239.02161  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -238.64856  -239.02161  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -237.09190  -239.02161  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -233.73980  -239.02161  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -223.26898  -239.02161  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -236.07989  -239.02161  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -237.27483  -239.02161  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -236.95735  -239.02161  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -233.62871  -239.02161  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -223.15789  -239.02161  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -236.02434  -239.02161  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -237.23780  -239.02161  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -238.53129  -239.02161  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -236.77065  -239.02161  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -236.93230  -239.02161  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -236.32121  -239.02161  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -237.80721  -239.02161  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -233.02354  -239.02161  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -233.90743  -239.02161  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -236.32290  -239.02161  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -234.82189  -239.02161  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -235.94080  -239.02161  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -232.85485  -239.02161  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -236.70035  -239.02161  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -236.62772  -239.02161  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -232.00045  -239.02161  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -236.29656  -239.02161  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -229.31601  -239.02161  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -237.14592  -239.02161  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -237.86558  -239.02161  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -233.41856  -239.02161  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -222.94774  -239.02161  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -235.91927  -239.02161  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -237.16775  -239.02161  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -232.90978  -239.02161  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -234.98037  -239.02161  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -237.06230  -239.02161  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -220.34480  -239.02161  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -230.79205  -239.02161  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -234.73545  -239.02161  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -235.96312  -239.02161  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -237.67155  -239.02161  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -229.67144  -239.02161  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -219.20062  -239.02161  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -232.23092  -239.02161  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -235.94782  -239.02161  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -230.55533  -239.02161  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -220.08451  -239.02161  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -233.11480  -239.02161  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -236.38976  -239.02161  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -232.97081  -239.02161  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -222.49999  -239.02161  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -235.53028  -239.02161  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -237.59750  -239.02161  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -231.46980  -239.02161  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -220.99898  -239.02161  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -234.02927  -239.02161  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -236.84699  -239.02161  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -233.43556  -239.02161  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -222.11788  -239.02161  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -235.50434  -239.02161  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -236.89113  -239.02161  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -229.50275  -239.02161  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -233.34825  -239.02161  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -233.27563  -239.02161  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -228.64836  -239.02161  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -219.87807  -239.02161  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -233.96136  -239.02161  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -235.86248  -239.02161  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -222.87743  -239.02161  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -222.80481  -239.02161  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -218.17754  -239.02161  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -235.86050  -239.02161  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -236.71772  -239.02161  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -235.85019  -239.02161  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -231.22292  -239.02161  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -237.79376  -239.02161  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -239.02161  -239.02161  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -235.44382  -239.02161  227
 315 spjdanao           4.00   4.00   0.00   0.00  14.00   6.00  36.00
Number of non-zero components,phases,Gapp    5    3      -257.58491        13.00000      1473.00000
Found three species comparison        ab          sp          anao     1.33333     1.00000     2.33333  -253.53099  -257.58491    1
 Found four species comparison        ab          fo          co          anao     0.66667     2.00000     4.00000     2.66667  -254.96716  -257.58491    2
 Found four species comparison        ab          fo          alpv        anao     0.66667     2.00000     4.00000     2.66667  -252.08052  -257.58491    3
 Found four species comparison        ab          fo          appv        anao     0.66667     2.00000     4.00000     2.66667  -243.05741  -257.58491    4
 Found four species comparison        ab          mgwa        co          anao     0.66667     2.00000     4.00000     2.66667  -254.93920  -257.58491    5
 Found four species comparison        ab          mgwa        alpv        anao     0.66667     2.00000     4.00000     2.66667  -252.05256  -257.58491    6
 Found four species comparison        ab          mgwa        appv        anao     0.66667     2.00000     4.00000     2.66667  -243.02945  -257.58491    7
 Found four species comparison        ab          mgri        co          anao     0.66667     2.00000     4.00000     2.66667  -254.80142  -257.58491    8
 Found four species comparison        ab          mgri        alpv        anao     0.66667     2.00000     4.00000     2.66667  -251.91477  -257.58491    9
 Found four species comparison        ab          mgri        appv        anao     0.66667     2.00000     4.00000     2.66667  -242.89166  -257.58491   10
 Found four species comparison        ab          co          pe          anao     1.33333     4.00000     1.00000     2.33333  -253.42874  -257.58491   11
 Found four species comparison        ab          alpv        pe          anao     1.33333     4.00000     1.00000     2.33333  -250.54210  -257.58491   12
 Found four species comparison        ab          appv        pe          anao     1.33333     4.00000     1.00000     2.33333  -241.51898  -257.58491   13
Found three species comparison        ab          anao        mgcf     1.33333     2.33333     4.00000  -252.55536  -257.58491   14
Found three species comparison        ab          anao        mnal     0.66667     1.66667     2.00000  -255.22365  -257.58491   15
 Found four species comparison        sp          fo          anao        ky       0.33333     1.33333     3.00000     2.66667  -255.56090  -257.58491   16
 Found four species comparison        sp          mgwa        anao        ky       0.33333     1.33333     3.00000     2.66667  -255.54225  -257.58491   17
 Found four species comparison        sp          mgri        anao        ky       0.33333     1.33333     3.00000     2.66667  -255.45040  -257.58491   18
 Found four species comparison        sp          en          anao        ky       0.50000     1.00000     3.00000     2.00000  -255.56178  -257.58491   19
 Found four species comparison        sp          cen         anao        ky       0.50000     1.00000     3.00000     2.00000  -255.42216  -257.58491   20
Found three species comparison        sp          jd          anao     1.00000     2.00000     2.00000  -257.58491  -257.58491   21
 Found four species comparison        sp          mgc2        anao        ky       0.50000     1.00000     3.00000     2.00000  -255.61335  -257.58491   22
 Found four species comparison        sp          mgil        anao        ky       0.50000     2.00000     3.00000     2.00000  -255.25183  -257.58491   23
 Found four species comparison        sp          co          namj        anao     0.80000     1.60000     0.80000     2.20000  -255.86295  -257.58491   24
 Found four species comparison        sp          py          anao        ky       0.40000     0.80000     3.00000     1.60000  -256.43187  -257.58491   25
 Found four species comparison        sp          mgmj        anao        ky       0.50000     0.50000     3.00000     2.00000  -255.38345  -257.58491   26
 Found four species comparison        sp          namj        alpv        anao     0.80000     0.80000     1.60000     2.20000  -254.70829  -257.58491   27
 Found four species comparison        sp          namj        appv        anao     0.80000     0.80000     1.60000     2.20000  -251.09904  -257.58491   28
 Found four species comparison        sp          namj        anao        ky       0.85714     0.57143     2.42857     1.14286  -255.65630  -257.58491   29
Found three species comparison        sp          qtz         anao     1.00000     4.00000     3.00000  -253.07537  -257.58491   30
Found three species comparison        sp          coes        anao     1.00000     4.00000     3.00000  -253.79095  -257.58491   31
Found three species comparison        sp          st          anao     1.00000     4.00000     3.00000  -254.95847  -257.58491   32
Found three species comparison        sp          apbo        anao     1.00000     4.00000     3.00000  -253.56798  -257.58491   33
 Found four species comparison        sp          mgpv        anao        ky       0.50000     2.00000     3.00000     2.00000  -254.72835  -257.58491   34
 Found four species comparison        sp          mppv        anao        ky       0.50000     2.00000     3.00000     2.00000  -253.27482  -257.58491   35
Found three species comparison        sp          anao        nacf     1.00000     1.00000     4.00000  -255.83804  -257.58491   36
Found three species comparison        sp          anao        nnal     1.00000     1.00000     1.33333  -255.43749  -257.58491   37
Found three species comparison        sp          anao        neph     1.00000     1.00000     4.00000  -253.13553  -257.58491   38
 Found four species comparison        fo          jd          co          anao     2.00000     1.00000     4.00000     2.50000  -256.99412  -257.58491   39
 Found four species comparison        fo          jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -254.10748  -257.58491   40
 Found four species comparison        fo          jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -245.08437  -257.58491   41
 Found four species comparison        fo          co          namj        anao     1.77778     4.44444     0.44444     2.55556  -256.10312  -257.58491   42
 Found four species comparison        fo          co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -254.73936  -257.58491   43
 Found four species comparison        fo          co          coes        anao     2.00000     4.00000     2.00000     3.00000  -255.09715  -257.58491   44
 Found four species comparison        fo          co          st          anao     2.00000     4.00000     2.00000     3.00000  -255.68090  -257.58491   45
 Found four species comparison        fo          co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -254.98566  -257.58491   46
 Found four species comparison        fo          co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -256.12069  -257.58491   47
 Found four species comparison        fo          co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -255.92041  -257.58491   48
 Found four species comparison        fo          co          anao        ky       2.00000     2.00000     3.00000     2.00000  -255.77151  -257.58491   49
 Found four species comparison        fo          co          anao        neph     2.00000     4.00000     2.00000     2.00000  -254.76943  -257.58491   50
 Found four species comparison        fo          namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -252.89574  -257.58491   51
 Found four species comparison        fo          namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -242.87006  -257.58491   52
 Found four species comparison        fo          qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -251.85271  -257.58491   53
 Found four species comparison        fo          qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -242.82960  -257.58491   54
 Found four species comparison        fo          coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -252.21050  -257.58491   55
 Found four species comparison        fo          coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -243.18739  -257.58491   56
 Found four species comparison        fo          st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -252.79426  -257.58491   57
 Found four species comparison        fo          st          appv        anao     2.00000     2.00000     4.00000     3.00000  -243.77115  -257.58491   58
 Found four species comparison        fo          apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -252.09902  -257.58491   59
 Found four species comparison        fo          apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -243.07590  -257.58491   60
 Found four species comparison        fo          alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -253.23404  -257.58491   61
 Found four species comparison        fo          alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -253.03377  -257.58491   62
 Found four species comparison        fo          alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -254.32818  -257.58491   63
 Found four species comparison        fo          alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -251.88279  -257.58491   64
 Found four species comparison        fo          appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -244.21093  -257.58491   65
 Found four species comparison        fo          appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -244.01066  -257.58491   66
 Found four species comparison        fo          appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -249.81663  -257.58491   67
 Found four species comparison        fo          appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -242.85968  -257.58491   68
 Found four species comparison        fo          anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -255.23569  -257.58491   69
 Found four species comparison        fo          anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -255.89975  -257.58491   70
 Found four species comparison        mgwa        jd          co          anao     2.00000     1.00000     4.00000     2.50000  -256.96616  -257.58491   71
 Found four species comparison        mgwa        jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -254.07952  -257.58491   72
 Found four species comparison        mgwa        jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -245.05640  -257.58491   73
 Found four species comparison        mgwa        co          namj        anao     1.77778     4.44444     0.44444     2.55556  -256.07826  -257.58491   74
 Found four species comparison        mgwa        co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -254.71139  -257.58491   75
 Found four species comparison        mgwa        co          coes        anao     2.00000     4.00000     2.00000     3.00000  -255.06918  -257.58491   76
 Found four species comparison        mgwa        co          st          anao     2.00000     4.00000     2.00000     3.00000  -255.65294  -257.58491   77
 Found four species comparison        mgwa        co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -254.95770  -257.58491   78
 Found four species comparison        mgwa        co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -256.09273  -257.58491   79
 Found four species comparison        mgwa        co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -255.89245  -257.58491   80
 Found four species comparison        mgwa        co          anao        ky       2.00000     2.00000     3.00000     2.00000  -255.74354  -257.58491   81
 Found four species comparison        mgwa        co          anao        neph     2.00000     4.00000     2.00000     2.00000  -254.74147  -257.58491   82
 Found four species comparison        mgwa        namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -252.87088  -257.58491   83
 Found four species comparison        mgwa        namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -242.84520  -257.58491   84
 Found four species comparison        mgwa        qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -251.82475  -257.58491   85
 Found four species comparison        mgwa        qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -242.80164  -257.58491   86
 Found four species comparison        mgwa        coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -252.18254  -257.58491   87
 Found four species comparison        mgwa        coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -243.15943  -257.58491   88
 Found four species comparison        mgwa        st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -252.76630  -257.58491   89
 Found four species comparison        mgwa        st          appv        anao     2.00000     2.00000     4.00000     3.00000  -243.74319  -257.58491   90
 Found four species comparison        mgwa        apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -252.07105  -257.58491   91
 Found four species comparison        mgwa        apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -243.04794  -257.58491   92
 Found four species comparison        mgwa        alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -253.20608  -257.58491   93
 Found four species comparison        mgwa        alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -253.00580  -257.58491   94
 Found four species comparison        mgwa        alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -254.30022  -257.58491   95
 Found four species comparison        mgwa        alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -251.85483  -257.58491   96
 Found four species comparison        mgwa        appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -244.18297  -257.58491   97
 Found four species comparison        mgwa        appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -243.98269  -257.58491   98
 Found four species comparison        mgwa        appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -249.78867  -257.58491   99
 Found four species comparison        mgwa        appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -242.83172  -257.58491  100
 Found four species comparison        mgwa        anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -255.21704  -257.58491  101
 Found four species comparison        mgwa        anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -255.88577  -257.58491  102
 Found four species comparison        mgri        jd          co          anao     2.00000     1.00000     4.00000     2.50000  -256.82837  -257.58491  103
 Found four species comparison        mgri        jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -253.94173  -257.58491  104
 Found four species comparison        mgri        jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -244.91862  -257.58491  105
 Found four species comparison        mgri        co          namj        anao     1.77778     4.44444     0.44444     2.55556  -255.95579  -257.58491  106
 Found four species comparison        mgri        co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -254.57361  -257.58491  107
 Found four species comparison        mgri        co          coes        anao     2.00000     4.00000     2.00000     3.00000  -254.93140  -257.58491  108
 Found four species comparison        mgri        co          st          anao     2.00000     4.00000     2.00000     3.00000  -255.51516  -257.58491  109
 Found four species comparison        mgri        co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -254.81991  -257.58491  110
 Found four species comparison        mgri        co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -255.95494  -257.58491  111
 Found four species comparison        mgri        co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -255.75466  -257.58491  112
 Found four species comparison        mgri        co          anao        ky       2.00000     2.00000     3.00000     2.00000  -255.60576  -257.58491  113
 Found four species comparison        mgri        co          anao        neph     2.00000     4.00000     2.00000     2.00000  -254.60369  -257.58491  114
 Found four species comparison        mgri        namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -252.74840  -257.58491  115
 Found four species comparison        mgri        namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -242.72273  -257.58491  116
 Found four species comparison        mgri        qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -251.68696  -257.58491  117
 Found four species comparison        mgri        qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -242.66385  -257.58491  118
 Found four species comparison        mgri        coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -252.04475  -257.58491  119
 Found four species comparison        mgri        coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -243.02164  -257.58491  120
 Found four species comparison        mgri        st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -252.62851  -257.58491  121
 Found four species comparison        mgri        st          appv        anao     2.00000     2.00000     4.00000     3.00000  -243.60540  -257.58491  122
 Found four species comparison        mgri        apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -251.93327  -257.58491  123
 Found four species comparison        mgri        apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -242.91015  -257.58491  124
 Found four species comparison        mgri        alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -253.06829  -257.58491  125
 Found four species comparison        mgri        alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -252.86802  -257.58491  126
 Found four species comparison        mgri        alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -254.16243  -257.58491  127
 Found four species comparison        mgri        alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -251.71704  -257.58491  128
 Found four species comparison        mgri        appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -244.04518  -257.58491  129
 Found four species comparison        mgri        appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -243.84491  -257.58491  130
 Found four species comparison        mgri        appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -249.65088  -257.58491  131
 Found four species comparison        mgri        appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -242.69393  -257.58491  132
 Found four species comparison        mgri        anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -255.12519  -257.58491  133
 Found four species comparison        mgri        anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -255.81688  -257.58491  134
Found three species comparison        en          co          anao     2.00000     4.00000     3.00000  -255.98389  -257.58491  135
Found three species comparison        en          alpv        anao     2.00000     4.00000     3.00000  -253.09725  -257.58491  136
Found three species comparison        en          appv        anao     2.00000     4.00000     3.00000  -244.07414  -257.58491  137
 Found four species comparison        en          anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -255.07397  -257.58491  138
 Found four species comparison        en          anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -256.01329  -257.58491  139
  Found two species comparison        mgts        anao     4.00000     3.00000  -254.10435  -257.58491  140
Found three species comparison        cen         co          anao     2.00000     4.00000     3.00000  -255.70465  -257.58491  141
Found three species comparison        cen         alpv        anao     2.00000     4.00000     3.00000  -252.81801  -257.58491  142
Found three species comparison        cen         appv        anao     2.00000     4.00000     3.00000  -243.79490  -257.58491  143
 Found four species comparison        cen         anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -254.93435  -257.58491  144
 Found four species comparison        cen         anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -255.92022  -257.58491  145
 Found four species comparison        jd          co          pe          anao     2.00000     4.00000     1.00000     2.00000  -257.44820  -257.58491  146
 Found four species comparison        jd          alpv        pe          anao     2.00000     4.00000     1.00000     2.00000  -254.56155  -257.58491  147
 Found four species comparison        jd          appv        pe          anao     2.00000     4.00000     1.00000     2.00000  -245.53844  -257.58491  148
Found three species comparison        jd          anao        mgcf     2.00000     2.00000     4.00000  -256.60928  -257.58491  149
Found three species comparison        jd          anao        mnal     1.00000     1.50000     2.00000  -257.25061  -257.58491  150
Found three species comparison        mgc2        co          anao     2.00000     4.00000     3.00000  -256.08703  -257.58491  151
Found three species comparison        mgc2        alpv        anao     2.00000     4.00000     3.00000  -253.20039  -257.58491  152
Found three species comparison        mgc2        appv        anao     2.00000     4.00000     3.00000  -244.17728  -257.58491  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -255.12554  -257.58491  154
 Found four species comparison        mgc2        anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -256.04767  -257.58491  155
Found three species comparison        mgil        co          anao     4.00000     4.00000     3.00000  -255.63162  -257.58491  156
Found three species comparison        mgil        alpv        anao     4.00000     4.00000     3.00000  -252.47734  -257.58491  157
Found three species comparison        mgil        appv        anao     4.00000     4.00000     3.00000  -243.45423  -257.58491  158
 Found four species comparison        mgil        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -254.76401  -257.58491  159
 Found four species comparison        mgil        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -255.80666  -257.58491  160
Found three species comparison        co          py          anao     2.66667     1.33333     3.00000  -257.29334  -257.58491  161
Found three species comparison        co          mgmj        anao     4.00000     1.00000     3.00000  -255.62723  -257.58491  162
 Found four species comparison        co          namj        pe          anao     4.80000     0.80000     0.80000     2.20000  -255.81594  -257.58491  163
 Found four species comparison        co          namj        anao        mgcf     1.60000     0.80000     2.20000     3.20000  -255.08244  -257.58491  164
 Found four species comparison        co          namj        anao        mnal     0.88889     0.44444     1.66667     1.77778  -256.33111  -257.58491  165
 Found four species comparison        co          qtz         pe          anao     4.00000     4.00000     1.00000     3.00000  -253.04251  -257.58491  166
 Found four species comparison        co          coes        pe          anao     4.00000     4.00000     1.00000     3.00000  -253.75809  -257.58491  167
 Found four species comparison        co          st          pe          anao     4.00000     4.00000     1.00000     3.00000  -254.92561  -257.58491  168
 Found four species comparison        co          apbo        pe          anao     4.00000     4.00000     1.00000     3.00000  -253.53512  -257.58491  169
Found three species comparison        co          mgpv        anao     4.00000     4.00000     3.00000  -254.31703  -257.58491  170
Found three species comparison        co          mppv        anao     4.00000     4.00000     3.00000  -251.40998  -257.58491  171
 Found four species comparison        co          pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -255.61331  -257.58491  172
 Found four species comparison        co          pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -255.21275  -257.58491  173
 Found four species comparison        co          pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -252.91080  -257.58491  174
Found three species comparison        py          alpv        anao     1.33333     2.66667     3.00000  -255.36891  -257.58491  175
Found three species comparison        py          appv        anao     1.33333     2.66667     3.00000  -249.35350  -257.58491  176
 Found four species comparison        py          anao        mgcf        ky       0.80000     3.00000     1.60000     1.60000  -256.04162  -257.58491  177
 Found four species comparison        py          anao        mnal        ky       0.57143     2.42857     1.14286     1.14286  -256.57029  -257.58491  178
Found three species comparison        mgmj        alpv        anao     1.00000     4.00000     3.00000  -252.74059  -257.58491  179
Found three species comparison        mgmj        appv        anao     1.00000     4.00000     3.00000  -243.71748  -257.58491  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.50000     3.00000     2.00000     2.00000  -254.89564  -257.58491  181
 Found four species comparison        mgmj        anao        mnal        ky       0.33333     2.33333     1.33333     1.33333  -255.89441  -257.58491  182
 Found four species comparison        namj        alpv        pe          anao     0.80000     4.80000     0.80000     2.20000  -252.35196  -257.58491  183
 Found four species comparison        namj        alpv        anao        mgcf     0.80000     1.60000     2.20000     3.20000  -253.92778  -257.58491  184
 Found four species comparison        namj        alpv        anao        mnal     0.44444     0.88889     1.66667     1.77778  -255.68963  -257.58491  185
 Found four species comparison        namj        appv        pe          anao     0.80000     4.80000     0.80000     2.20000  -241.52423  -257.58491  186
 Found four species comparison        namj        appv        anao        mgcf     0.80000     1.60000     2.20000     3.20000  -250.31854  -257.58491  187
 Found four species comparison        namj        appv        anao        mnal     0.44444     0.88889     1.66667     1.77778  -253.68450  -257.58491  188
 Found four species comparison        namj        anao        mgcf        ky       0.57143     2.42857     3.42857     1.14286  -254.82004  -257.58491  189
 Found four species comparison        namj        anao        mnal        ky       0.30769     1.76923     1.84615     0.61538  -256.23785  -257.58491  190
 Found four species comparison        qtz         alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -250.15586  -257.58491  191
 Found four species comparison        qtz         appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -241.13275  -257.58491  192
Found three species comparison        qtz         anao        mgcf     4.00000     3.00000     4.00000  -252.09974  -257.58491  193
Found three species comparison        qtz         anao        mnal     2.00000     2.00000     2.00000  -254.99585  -257.58491  194
 Found four species comparison        coes        alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -250.87145  -257.58491  195
 Found four species comparison        coes        appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -241.84833  -257.58491  196
Found three species comparison        coes        anao        mgcf     4.00000     3.00000     4.00000  -252.81532  -257.58491  197
Found three species comparison        coes        anao        mnal     2.00000     2.00000     2.00000  -255.35364  -257.58491  198
 Found four species comparison        st          alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -252.03896  -257.58491  199
 Found four species comparison        st          appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -243.01585  -257.58491  200
Found three species comparison        st          anao        mgcf     4.00000     3.00000     4.00000  -253.98284  -257.58491  201
Found three species comparison        st          anao        mnal     2.00000     2.00000     2.00000  -255.93739  -257.58491  202
 Found four species comparison        apbo        alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -250.64847  -257.58491  203
 Found four species comparison        apbo        appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -241.62536  -257.58491  204
Found three species comparison        apbo        anao        mgcf     4.00000     3.00000     4.00000  -252.59235  -257.58491  205
Found three species comparison        apbo        anao        mnal     2.00000     2.00000     2.00000  -255.24215  -257.58491  206
Found three species comparison        mgpv        alpv        anao     4.00000     4.00000     3.00000  -252.45954  -257.58491  207
Found three species comparison        mgpv        appv        anao     4.00000     4.00000     3.00000  -242.40727  -257.58491  208
 Found four species comparison        mgpv        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -254.24054  -257.58491  209
 Found four species comparison        mgpv        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -255.45767  -257.58491  210
Found three species comparison        alpv        mppv        anao     4.00000     4.00000     3.00000  -248.52333  -257.58491  211
 Found four species comparison        alpv        pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -252.72666  -257.58491  212
 Found four species comparison        alpv        pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -252.32611  -257.58491  213
 Found four species comparison        alpv        pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -250.02415  -257.58491  214
Found three species comparison        mppv        appv        anao     4.00000     4.00000     3.00000  -240.52875  -257.58491  215
 Found four species comparison        mppv        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -252.78701  -257.58491  216
 Found four species comparison        mppv        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -254.48866  -257.58491  217
 Found four species comparison        appv        pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -243.70355  -257.58491  218
 Found four species comparison        appv        pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -243.30300  -257.58491  219
 Found four species comparison        appv        pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -241.00104  -257.58491  220
Found three species comparison        pe          anao        ky       1.00000     3.00000     4.00000  -255.10681  -257.58491  221
Found three species comparison        anao        mgcf        nacf     1.00000     4.00000     4.00000  -255.84611  -257.58491  222
Found three species comparison        anao        mgcf        nnal     1.00000     4.00000     1.33333  -254.46186  -257.58491  223
Found three species comparison        anao        mgcf        neph     1.00000     4.00000     4.00000  -252.15990  -257.58491  224
Found three species comparison        anao        nacf        mnal     1.00000     2.00000     2.00000  -256.37718  -257.58491  225
Found three species comparison        anao        mnal        nnal     1.00000     2.00000     0.66667  -257.38222  -257.58491  226
Found three species comparison        anao        mnal        neph     1.00000     2.00000     2.00000  -255.02592  -257.58491  227
 316 spjdanao           4.00   4.00   0.00   0.00  14.00   6.00  36.00
Number of non-zero components,phases,Gapp    5    3      -254.81657        13.50000      1473.00000
Found three species comparison        ab          sp          anao     1.33333     1.00000     2.33333  -250.64430  -254.81657    1
 Found four species comparison        ab          fo          co          anao     0.66667     2.00000     4.00000     2.66667  -252.18665  -254.81657    2
 Found four species comparison        ab          fo          alpv        anao     0.66667     2.00000     4.00000     2.66667  -249.31521  -254.81657    3
 Found four species comparison        ab          fo          appv        anao     0.66667     2.00000     4.00000     2.66667  -240.31851  -254.81657    4
 Found four species comparison        ab          mgwa        co          anao     0.66667     2.00000     4.00000     2.66667  -252.19195  -254.81657    5
 Found four species comparison        ab          mgwa        alpv        anao     0.66667     2.00000     4.00000     2.66667  -249.32050  -254.81657    6
 Found four species comparison        ab          mgwa        appv        anao     0.66667     2.00000     4.00000     2.66667  -240.32381  -254.81657    7
 Found four species comparison        ab          mgri        co          anao     0.66667     2.00000     4.00000     2.66667  -252.06832  -254.81657    8
 Found four species comparison        ab          mgri        alpv        anao     0.66667     2.00000     4.00000     2.66667  -249.19688  -254.81657    9
 Found four species comparison        ab          mgri        appv        anao     0.66667     2.00000     4.00000     2.66667  -240.20018  -254.81657   10
 Found four species comparison        ab          co          pe          anao     1.33333     4.00000     1.00000     2.33333  -250.61417  -254.81657   11
 Found four species comparison        ab          alpv        pe          anao     1.33333     4.00000     1.00000     2.33333  -247.74272  -254.81657   12
 Found four species comparison        ab          appv        pe          anao     1.33333     4.00000     1.00000     2.33333  -238.74603  -254.81657   13
Found three species comparison        ab          anao        mgcf     1.33333     2.33333     4.00000  -249.75525  -254.81657   14
Found three species comparison        ab          anao        mnal     0.66667     1.66667     2.00000  -252.53378  -254.81657   15
 Found four species comparison        sp          fo          anao        ky       0.33333     1.33333     3.00000     2.66667  -252.83491  -254.81657   16
 Found four species comparison        sp          mgwa        anao        ky       0.33333     1.33333     3.00000     2.66667  -252.83844  -254.81657   17
 Found four species comparison        sp          mgri        anao        ky       0.33333     1.33333     3.00000     2.66667  -252.75602  -254.81657   18
 Found four species comparison        sp          en          anao        ky       0.50000     1.00000     3.00000     2.00000  -252.82883  -254.81657   19
 Found four species comparison        sp          cen         anao        ky       0.50000     1.00000     3.00000     2.00000  -252.68614  -254.81657   20
Found three species comparison        sp          jd          anao     1.00000     2.00000     2.00000  -254.81657  -254.81657   21
 Found four species comparison        sp          mgc2        anao        ky       0.50000     1.00000     3.00000     2.00000  -252.88653  -254.81657   22
 Found four species comparison        sp          mgil        anao        ky       0.50000     2.00000     3.00000     2.00000  -252.57442  -254.81657   23
 Found four species comparison        sp          co          namj        anao     0.80000     1.60000     0.80000     2.20000  -253.17842  -254.81657   24
 Found four species comparison        sp          py          anao        ky       0.40000     0.80000     3.00000     1.60000  -253.72822  -254.81657   25
 Found four species comparison        sp          mgmj        anao        ky       0.50000     0.50000     3.00000     2.00000  -252.67893  -254.81657   26
 Found four species comparison        sp          namj        alpv        anao     0.80000     0.80000     1.60000     2.20000  -252.02984  -254.81657   27
 Found four species comparison        sp          namj        appv        anao     0.80000     0.80000     1.60000     2.20000  -248.43116  -254.81657   28
 Found four species comparison        sp          namj        anao        ky       0.85714     0.57143     2.42857     1.14286  -252.95255  -254.81657   29
Found three species comparison        sp          qtz         anao     1.00000     4.00000     3.00000  -250.25460  -254.81657   30
Found three species comparison        sp          coes        anao     1.00000     4.00000     3.00000  -250.99105  -254.81657   31
Found three species comparison        sp          st          anao     1.00000     4.00000     3.00000  -252.31042  -254.81657   32
Found three species comparison        sp          apbo        anao     1.00000     4.00000     3.00000  -250.93001  -254.81657   33
 Found four species comparison        sp          mgpv        anao        ky       0.50000     2.00000     3.00000     2.00000  -252.07452  -254.81657   34
 Found four species comparison        sp          mppv        anao        ky       0.50000     2.00000     3.00000     2.00000  -250.63257  -254.81657   35
Found three species comparison        sp          anao        nacf     1.00000     1.00000     4.00000  -253.19571  -254.81657   36
Found three species comparison        sp          anao        nnal     1.00000     1.00000     1.33333  -252.79566  -254.81657   37
Found three species comparison        sp          anao        neph     1.00000     1.00000     4.00000  -250.13757  -254.81657   38
 Found four species comparison        fo          jd          co          anao     2.00000     1.00000     4.00000     2.50000  -254.27279  -254.81657   39
 Found four species comparison        fo          jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -251.40134  -254.81657   40
 Found four species comparison        fo          jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -242.40464  -254.81657   41
 Found four species comparison        fo          co          namj        anao     1.77778     4.44444     0.44444     2.55556  -253.42312  -254.81657   42
 Found four species comparison        fo          co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -251.99180  -254.81657   43
 Found four species comparison        fo          co          coes        anao     2.00000     4.00000     2.00000     3.00000  -252.36003  -254.81657   44
 Found four species comparison        fo          co          st          anao     2.00000     4.00000     2.00000     3.00000  -253.01971  -254.81657   45
 Found four species comparison        fo          co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -252.32950  -254.81657   46
 Found four species comparison        fo          co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -253.46236  -254.81657   47
 Found four species comparison        fo          co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -253.26233  -254.81657   48
 Found four species comparison        fo          co          anao        ky       2.00000     2.00000     3.00000     2.00000  -253.05843  -254.81657   49
 Found four species comparison        fo          co          anao        neph     2.00000     4.00000     2.00000     2.00000  -251.93328  -254.81657   50
 Found four species comparison        fo          namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -250.23263  -254.81657   51
 Found four species comparison        fo          namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -240.23630  -254.81657   52
 Found four species comparison        fo          qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -249.12036  -254.81657   53
 Found four species comparison        fo          qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -240.12366  -254.81657   54
 Found four species comparison        fo          coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -249.48858  -254.81657   55
 Found four species comparison        fo          coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -240.49188  -254.81657   56
 Found four species comparison        fo          st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -250.14827  -254.81657   57
 Found four species comparison        fo          st          appv        anao     2.00000     2.00000     4.00000     3.00000  -241.15157  -254.81657   58
 Found four species comparison        fo          apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -249.45806  -254.81657   59
 Found four species comparison        fo          apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -240.46136  -254.81657   60
 Found four species comparison        fo          alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -250.59091  -254.81657   61
 Found four species comparison        fo          alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -250.39089  -254.81657   62
 Found four species comparison        fo          alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -251.62271  -254.81657   63
 Found four species comparison        fo          alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -249.06184  -254.81657   64
 Found four species comparison        fo          appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -241.59421  -254.81657   65
 Found four species comparison        fo          appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -241.39419  -254.81657   66
 Found four species comparison        fo          appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -247.12436  -254.81657   67
 Found four species comparison        fo          appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -240.06514  -254.81657   68
 Found four species comparison        fo          anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -252.53856  -254.81657   69
 Found four species comparison        fo          anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -253.23200  -254.81657   70
 Found four species comparison        mgwa        jd          co          anao     2.00000     1.00000     4.00000     2.50000  -254.27808  -254.81657   71
 Found four species comparison        mgwa        jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -251.40664  -254.81657   72
 Found four species comparison        mgwa        jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -242.40994  -254.81657   73
 Found four species comparison        mgwa        co          namj        anao     1.77778     4.44444     0.44444     2.55556  -253.42783  -254.81657   74
 Found four species comparison        mgwa        co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -251.99710  -254.81657   75
 Found four species comparison        mgwa        co          coes        anao     2.00000     4.00000     2.00000     3.00000  -252.36532  -254.81657   76
 Found four species comparison        mgwa        co          st          anao     2.00000     4.00000     2.00000     3.00000  -253.02501  -254.81657   77
 Found four species comparison        mgwa        co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -252.33480  -254.81657   78
 Found four species comparison        mgwa        co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -253.46765  -254.81657   79
 Found four species comparison        mgwa        co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -253.26763  -254.81657   80
 Found four species comparison        mgwa        co          anao        ky       2.00000     2.00000     3.00000     2.00000  -253.06373  -254.81657   81
 Found four species comparison        mgwa        co          anao        neph     2.00000     4.00000     2.00000     2.00000  -251.93858  -254.81657   82
 Found four species comparison        mgwa        namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -250.23734  -254.81657   83
 Found four species comparison        mgwa        namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -240.24101  -254.81657   84
 Found four species comparison        mgwa        qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -249.12565  -254.81657   85
 Found four species comparison        mgwa        qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -240.12896  -254.81657   86
 Found four species comparison        mgwa        coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -249.49388  -254.81657   87
 Found four species comparison        mgwa        coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -240.49718  -254.81657   88
 Found four species comparison        mgwa        st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -250.15356  -254.81657   89
 Found four species comparison        mgwa        st          appv        anao     2.00000     2.00000     4.00000     3.00000  -241.15687  -254.81657   90
 Found four species comparison        mgwa        apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -249.46336  -254.81657   91
 Found four species comparison        mgwa        apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -240.46666  -254.81657   92
 Found four species comparison        mgwa        alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -250.59621  -254.81657   93
 Found four species comparison        mgwa        alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -250.39618  -254.81657   94
 Found four species comparison        mgwa        alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -251.62801  -254.81657   95
 Found four species comparison        mgwa        alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -249.06714  -254.81657   96
 Found four species comparison        mgwa        appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -241.59951  -254.81657   97
 Found four species comparison        mgwa        appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -241.39948  -254.81657   98
 Found four species comparison        mgwa        appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -247.12966  -254.81657   99
 Found four species comparison        mgwa        appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -240.07044  -254.81657  100
 Found four species comparison        mgwa        anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -252.54209  -254.81657  101
 Found four species comparison        mgwa        anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -253.23465  -254.81657  102
 Found four species comparison        mgri        jd          co          anao     2.00000     1.00000     4.00000     2.50000  -254.15446  -254.81657  103
 Found four species comparison        mgri        jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -251.28301  -254.81657  104
 Found four species comparison        mgri        jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -242.28632  -254.81657  105
 Found four species comparison        mgri        co          namj        anao     1.77778     4.44444     0.44444     2.55556  -253.31794  -254.81657  106
 Found four species comparison        mgri        co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -251.87347  -254.81657  107
 Found four species comparison        mgri        co          coes        anao     2.00000     4.00000     2.00000     3.00000  -252.24170  -254.81657  108
 Found four species comparison        mgri        co          st          anao     2.00000     4.00000     2.00000     3.00000  -252.90138  -254.81657  109
 Found four species comparison        mgri        co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -252.21117  -254.81657  110
 Found four species comparison        mgri        co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -253.34403  -254.81657  111
 Found four species comparison        mgri        co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -253.14400  -254.81657  112
 Found four species comparison        mgri        co          anao        ky       2.00000     2.00000     3.00000     2.00000  -252.94010  -254.81657  113
 Found four species comparison        mgri        co          anao        neph     2.00000     4.00000     2.00000     2.00000  -251.81495  -254.81657  114
 Found four species comparison        mgri        namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -250.12745  -254.81657  115
 Found four species comparison        mgri        namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -240.13112  -254.81657  116
 Found four species comparison        mgri        qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -249.00203  -254.81657  117
 Found four species comparison        mgri        qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -240.00533  -254.81657  118
 Found four species comparison        mgri        coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -249.37025  -254.81657  119
 Found four species comparison        mgri        coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -240.37356  -254.81657  120
 Found four species comparison        mgri        st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -250.02994  -254.81657  121
 Found four species comparison        mgri        st          appv        anao     2.00000     2.00000     4.00000     3.00000  -241.03324  -254.81657  122
 Found four species comparison        mgri        apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -249.33973  -254.81657  123
 Found four species comparison        mgri        apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -240.34303  -254.81657  124
 Found four species comparison        mgri        alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -250.47258  -254.81657  125
 Found four species comparison        mgri        alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -250.27256  -254.81657  126
 Found four species comparison        mgri        alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -251.50438  -254.81657  127
 Found four species comparison        mgri        alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -248.94351  -254.81657  128
 Found four species comparison        mgri        appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -241.47589  -254.81657  129
 Found four species comparison        mgri        appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -241.27586  -254.81657  130
 Found four species comparison        mgri        appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -247.00603  -254.81657  131
 Found four species comparison        mgri        appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -239.94681  -254.81657  132
 Found four species comparison        mgri        anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -252.45967  -254.81657  133
 Found four species comparison        mgri        anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -253.17283  -254.81657  134
Found three species comparison        en          co          anao     2.00000     4.00000     3.00000  -253.26980  -254.81657  135
Found three species comparison        en          alpv        anao     2.00000     4.00000     3.00000  -250.39836  -254.81657  136
Found three species comparison        en          appv        anao     2.00000     4.00000     3.00000  -241.40166  -254.81657  137
 Found four species comparison        en          anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -252.38430  -254.81657  138
 Found four species comparison        en          anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -253.36031  -254.81657  139
  Found two species comparison        mgts        anao     4.00000     3.00000  -251.36229  -254.81657  140
Found three species comparison        cen         co          anao     2.00000     4.00000     3.00000  -252.98441  -254.81657  141
Found three species comparison        cen         alpv        anao     2.00000     4.00000     3.00000  -250.11297  -254.81657  142
Found three species comparison        cen         appv        anao     2.00000     4.00000     3.00000  -241.11627  -254.81657  143
 Found four species comparison        cen         anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -252.24161  -254.81657  144
 Found four species comparison        cen         anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -253.26518  -254.81657  145
 Found four species comparison        jd          co          pe          anao     2.00000     4.00000     1.00000     2.00000  -254.75198  -254.81657  146
 Found four species comparison        jd          alpv        pe          anao     2.00000     4.00000     1.00000     2.00000  -251.88053  -254.81657  147
 Found four species comparison        jd          appv        pe          anao     2.00000     4.00000     1.00000     2.00000  -242.88383  -254.81657  148
Found three species comparison        jd          anao        mgcf     2.00000     2.00000     4.00000  -253.92752  -254.81657  149
Found three species comparison        jd          anao        mnal     1.00000     1.50000     2.00000  -254.61992  -254.81657  150
Found three species comparison        mgc2        co          anao     2.00000     4.00000     3.00000  -253.38521  -254.81657  151
Found three species comparison        mgc2        alpv        anao     2.00000     4.00000     3.00000  -250.51376  -254.81657  152
Found three species comparison        mgc2        appv        anao     2.00000     4.00000     3.00000  -241.51706  -254.81657  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -252.44201  -254.81657  154
 Found four species comparison        mgc2        anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -253.39878  -254.81657  155
Found three species comparison        mgil        co          anao     4.00000     4.00000     3.00000  -253.02862  -254.81657  156
Found three species comparison        mgil        alpv        anao     4.00000     4.00000     3.00000  -249.88954  -254.81657  157
Found three species comparison        mgil        appv        anao     4.00000     4.00000     3.00000  -240.89284  -254.81657  158
 Found four species comparison        mgil        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -252.12990  -254.81657  159
 Found four species comparison        mgil        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -253.19070  -254.81657  160
Found three species comparison        co          py          anao     2.66667     1.33333     3.00000  -254.62178  -254.81657  161
Found three species comparison        co          mgmj        anao     4.00000     1.00000     3.00000  -252.96999  -254.81657  162
 Found four species comparison        co          namj        pe          anao     4.80000     0.80000     0.80000     2.20000  -253.18910  -254.81657  163
 Found four species comparison        co          namj        anao        mgcf     1.60000     0.80000     2.20000     3.20000  -252.46717  -254.81657  164
 Found four species comparison        co          namj        anao        mnal     0.88889     0.44444     1.66667     1.77778  -253.73168  -254.81657  165
 Found four species comparison        co          qtz         pe          anao     4.00000     4.00000     1.00000     3.00000  -250.29385  -254.81657  166
 Found four species comparison        co          coes        pe          anao     4.00000     4.00000     1.00000     3.00000  -251.03031  -254.81657  167
 Found four species comparison        co          st          pe          anao     4.00000     4.00000     1.00000     3.00000  -252.34968  -254.81657  168
 Found four species comparison        co          apbo        pe          anao     4.00000     4.00000     1.00000     3.00000  -250.96926  -254.81657  169
Found three species comparison        co          mgpv        anao     4.00000     4.00000     3.00000  -251.76117  -254.81657  170
Found three species comparison        co          mppv        anao     4.00000     4.00000     3.00000  -248.87728  -254.81657  171
 Found four species comparison        co          pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -253.04309  -254.81657  172
 Found four species comparison        co          pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -252.64304  -254.81657  173
 Found four species comparison        co          pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -249.98495  -254.81657  174
Found three species comparison        py          alpv        anao     1.33333     2.66667     3.00000  -252.70749  -254.81657  175
Found three species comparison        py          appv        anao     1.33333     2.66667     3.00000  -246.70969  -254.81657  176
 Found four species comparison        py          anao        mgcf        ky       0.80000     3.00000     1.60000     1.60000  -253.37259  -254.81657  177
 Found four species comparison        py          anao        mnal        ky       0.57143     2.42857     1.14286     1.14286  -253.92680  -254.81657  178
Found three species comparison        mgmj        alpv        anao     1.00000     4.00000     3.00000  -250.09855  -254.81657  179
Found three species comparison        mgmj        appv        anao     1.00000     4.00000     3.00000  -241.10185  -254.81657  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.50000     3.00000     2.00000     2.00000  -252.23440  -254.81657  181
 Found four species comparison        mgmj        anao        mnal        ky       0.33333     2.33333     1.33333     1.33333  -253.26037  -254.81657  182
 Found four species comparison        namj        alpv        pe          anao     0.80000     4.80000     0.80000     2.20000  -249.74337  -254.81657  183
 Found four species comparison        namj        alpv        anao        mgcf     0.80000     1.60000     2.20000     3.20000  -251.31859  -254.81657  184
 Found four species comparison        namj        alpv        anao        mnal     0.44444     0.88889     1.66667     1.77778  -253.09358  -254.81657  185
 Found four species comparison        namj        appv        pe          anao     0.80000     4.80000     0.80000     2.20000  -238.94733  -254.81657  186
 Found four species comparison        namj        appv        anao        mgcf     0.80000     1.60000     2.20000     3.20000  -247.71992  -254.81657  187
 Found four species comparison        namj        appv        anao        mnal     0.44444     0.88889     1.66667     1.77778  -251.09432  -254.81657  188
 Found four species comparison        namj        anao        mgcf        ky       0.57143     2.42857     3.42857     1.14286  -252.19050  -254.81657  189
 Found four species comparison        namj        anao        mnal        ky       0.30769     1.76923     1.84615     0.61538  -253.63134  -254.81657  190
 Found four species comparison        qtz         alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -247.42241  -254.81657  191
 Found four species comparison        qtz         appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -238.42571  -254.81657  192
Found three species comparison        qtz         anao        mgcf     4.00000     3.00000     4.00000  -249.36554  -254.81657  193
Found three species comparison        qtz         anao        mnal     2.00000     2.00000     2.00000  -252.33893  -254.81657  194
 Found four species comparison        coes        alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -248.15886  -254.81657  195
 Found four species comparison        coes        appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -239.16216  -254.81657  196
Found three species comparison        coes        anao        mgcf     4.00000     3.00000     4.00000  -250.10200  -254.81657  197
Found three species comparison        coes        anao        mnal     2.00000     2.00000     2.00000  -252.70716  -254.81657  198
 Found four species comparison        st          alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -249.47823  -254.81657  199
 Found four species comparison        st          appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -240.48153  -254.81657  200
Found three species comparison        st          anao        mgcf     4.00000     3.00000     4.00000  -251.42137  -254.81657  201
Found three species comparison        st          anao        mnal     2.00000     2.00000     2.00000  -253.36684  -254.81657  202
 Found four species comparison        apbo        alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -248.09781  -254.81657  203
 Found four species comparison        apbo        appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -239.10112  -254.81657  204
Found three species comparison        apbo        anao        mgcf     4.00000     3.00000     4.00000  -250.04095  -254.81657  205
Found three species comparison        apbo        anao        mnal     2.00000     2.00000     2.00000  -252.67664  -254.81657  206
Found three species comparison        mgpv        alpv        anao     4.00000     4.00000     3.00000  -249.91889  -254.81657  207
Found three species comparison        mgpv        appv        anao     4.00000     4.00000     3.00000  -239.89303  -254.81657  208
 Found four species comparison        mgpv        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -251.62999  -254.81657  209
 Found four species comparison        mgpv        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -252.85743  -254.81657  210
Found three species comparison        alpv        mppv        anao     4.00000     4.00000     3.00000  -246.00584  -254.81657  211
 Found four species comparison        alpv        pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -250.17165  -254.81657  212
 Found four species comparison        alpv        pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -249.77160  -254.81657  213
 Found four species comparison        alpv        pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -247.11350  -254.81657  214
Found three species comparison        mppv        appv        anao     4.00000     4.00000     3.00000  -238.03767  -254.81657  215
 Found four species comparison        mppv        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -250.18804  -254.81657  216
 Found four species comparison        mppv        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -251.89614  -254.81657  217
 Found four species comparison        appv        pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -241.17495  -254.81657  218
 Found four species comparison        appv        pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -240.77490  -254.81657  219
 Found four species comparison        appv        pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -238.11681  -254.81657  220
Found three species comparison        pe          anao        ky       1.00000     3.00000     4.00000  -252.42711  -254.81657  221
Found three species comparison        anao        mgcf        nacf     1.00000     4.00000     4.00000  -253.29036  -254.81657  222
Found three species comparison        anao        mgcf        nnal     1.00000     4.00000     1.33333  -251.90660  -254.81657  223
Found three species comparison        anao        mgcf        neph     1.00000     4.00000     4.00000  -249.24851  -254.81657  224
Found three species comparison        anao        nacf        mnal     1.00000     2.00000     2.00000  -253.80949  -254.81657  225
Found three species comparison        anao        mnal        nnal     1.00000     2.00000     0.66667  -254.81478  -254.81657  226
Found three species comparison        anao        mnal        neph     1.00000     2.00000     2.00000  -252.28042  -254.81657  227
 317 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -253.20517        14.50000      1473.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -247.72332  -253.20517    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -249.72359  -253.20517    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -246.47678  -253.20517    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -236.25534  -253.20517    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -249.80425  -253.20517    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -246.55743  -253.20517    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -236.33600  -253.20517    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -249.69478  -253.20517    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -246.44796  -253.20517    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -236.22653  -253.20517   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -247.74089  -253.20517   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -244.49407  -253.20517   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -234.27264  -253.20517   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -246.90417  -253.20517   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -250.32517  -253.20517   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -250.58502  -253.20517   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -250.63879  -253.20517   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -250.56581  -253.20517   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -250.56186  -253.20517   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -250.39212  -253.20517   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -252.75184  -253.20517   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -250.64177  -253.20517   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -250.39629  -253.20517   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -251.06920  -253.20517   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -251.65571  -253.20517   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -250.45457  -253.20517   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -249.77047  -253.20517   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -245.68190  -253.20517   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -250.76817  -253.20517   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -247.42389  -253.20517   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -248.30998  -253.20517   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -250.16000  -253.20517   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -248.60521  -253.20517   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -249.87842  -253.20517   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -248.25670  -253.20517   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -251.18401  -253.20517   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -250.72832  -253.20517   37
  Found two species comparison        sp          neph     1.50000     6.00000  -246.90304  -253.20517   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -252.23785  -253.20517   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -248.99103  -253.20517   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -238.76960  -253.20517   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -251.36016  -253.20517   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -249.57387  -253.20517   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -250.01692  -253.20517   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -250.94193  -253.20517   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -250.16454  -253.20517   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -251.45393  -253.20517   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -251.22609  -253.20517   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -250.86973  -253.20517   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -249.31345  -253.20517   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -247.75259  -253.20517   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -236.39544  -253.20517   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -246.32706  -253.20517   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -236.10563  -253.20517   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -246.77011  -253.20517   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -236.54868  -253.20517   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -247.69512  -253.20517   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -237.47369  -253.20517   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -246.91772  -253.20517   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -236.69629  -253.20517   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -248.20712  -253.20517   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -247.97928  -253.20517   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -249.24632  -253.20517   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -246.06664  -253.20517   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -237.98569  -253.20517   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -237.75784  -253.20517   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -244.13561  -253.20517   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -235.84520  -253.20517   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -250.31197  -253.20517   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -251.17052  -253.20517   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -252.31851  -253.20517   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -249.07169  -253.20517   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -238.85026  -253.20517   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -251.43186  -253.20517   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -249.65453  -253.20517   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -250.09758  -253.20517   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -251.02259  -253.20517   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -250.24519  -253.20517   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -251.53459  -253.20517   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -251.30675  -253.20517   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -250.95039  -253.20517   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -249.39411  -253.20517   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -247.82428  -253.20517   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -236.46714  -253.20517   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -246.40772  -253.20517   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -236.18629  -253.20517   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -246.85076  -253.20517   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -236.62933  -253.20517   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -247.77577  -253.20517   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -237.55434  -253.20517   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -246.99838  -253.20517   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -236.77695  -253.20517   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -248.28778  -253.20517   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -248.05993  -253.20517   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -249.32698  -253.20517   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -246.14729  -253.20517   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -238.06635  -253.20517   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -237.83850  -253.20517   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -244.21627  -253.20517   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -235.92586  -253.20517  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -250.36574  -253.20517  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -251.21085  -253.20517  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -252.20903  -253.20517  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -248.96222  -253.20517  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -238.74079  -253.20517  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -251.33455  -253.20517  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -249.54506  -253.20517  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -249.98811  -253.20517  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -250.91312  -253.20517  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -250.13572  -253.20517  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -251.42512  -253.20517  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -251.19728  -253.20517  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -250.84092  -253.20517  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -249.28464  -253.20517  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -247.72698  -253.20517  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -236.36983  -253.20517  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -246.29824  -253.20517  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -236.07681  -253.20517  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -246.74129  -253.20517  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -236.51986  -253.20517  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -247.66630  -253.20517  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -237.44487  -253.20517  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -246.88891  -253.20517  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -236.66748  -253.20517  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -248.17830  -253.20517  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -247.95046  -253.20517  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -249.21751  -253.20517  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -246.03782  -253.20517  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -237.95687  -253.20517  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -237.72903  -253.20517  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -244.10679  -253.20517  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -235.81639  -253.20517  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -250.29276  -253.20517  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -251.15611  -253.20517  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -251.10813  -253.20517  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -247.86131  -253.20517  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -237.63988  -253.20517  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -250.15229  -253.20517  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -251.35025  -253.20517  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -248.86763  -253.20517  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -250.76864  -253.20517  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -247.52183  -253.20517  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -237.30040  -253.20517  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -249.98255  -253.20517  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -251.23709  -253.20517  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -252.74124  -253.20517  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -249.49443  -253.20517  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -239.27300  -253.20517  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -251.93269  -253.20517  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -252.83943  -253.20517  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -251.26794  -253.20517  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -248.02112  -253.20517  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -237.79969  -253.20517  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -250.23220  -253.20517  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -251.40352  -253.20517  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -251.08285  -253.20517  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -247.53016  -253.20517  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -237.30873  -253.20517  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -249.98672  -253.20517  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -251.23987  -253.20517  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -252.74912  -253.20517  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -250.89353  -253.20517  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -251.09661  -253.20517  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -250.41388  -253.20517  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -251.89490  -253.20517  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -247.51389  -253.20517  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -248.39998  -253.20517  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -250.25000  -253.20517  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -248.69521  -253.20517  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -249.74123  -253.20517  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -246.49780  -253.20517  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -251.03211  -253.20517  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -250.57642  -253.20517  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -246.75114  -253.20517  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -250.58458  -253.20517  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -243.77029  -253.20517  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -251.32805  -253.20517  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -252.01894  -253.20517  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -247.64671  -253.20517  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -237.42528  -253.20517  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -250.04499  -253.20517  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -251.27872  -253.20517  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -247.20044  -253.20517  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -249.11516  -253.20517  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -251.17338  -253.20517  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -234.93472  -253.20517  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -245.02658  -253.20517  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -248.90195  -253.20517  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -250.06605  -253.20517  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -251.76456  -253.20517  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -244.26707  -253.20517  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -234.04564  -253.20517  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -246.60474  -253.20517  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -250.17545  -253.20517  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -245.15317  -253.20517  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -234.93174  -253.20517  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -247.49083  -253.20517  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -250.61850  -253.20517  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -247.00319  -253.20517  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -236.78176  -253.20517  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -249.34085  -253.20517  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -251.54351  -253.20517  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -245.44840  -253.20517  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -235.22697  -253.20517  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -247.78606  -253.20517  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -250.76611  -253.20517  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -247.67060  -253.20517  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -236.27298  -253.20517  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -249.46884  -253.20517  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -250.89462  -253.20517  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -243.25098  -253.20517  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -247.78529  -253.20517  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -247.32961  -253.20517  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -243.50433  -253.20517  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -234.20501  -253.20517  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -247.84712  -253.20517  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -249.81347  -253.20517  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -237.56386  -253.20517  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -237.10817  -253.20517  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -233.28290  -253.20517  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -250.10560  -253.20517  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -251.48909  -253.20517  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -249.90917  -253.20517  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -246.08389  -253.20517  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -252.05551  -253.20517  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -253.20517  -253.20517  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -249.91503  -253.20517  227
 318 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -230.65138        19.00000      1473.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -222.16444  -230.65138    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -225.15624  -230.65138    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -222.06752  -230.65138    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -212.12004  -230.65138    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -225.55134  -230.65138    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -222.46262  -230.65138    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -212.51515  -230.65138    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -225.57660  -230.65138    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -222.48788  -230.65138    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -212.54041  -230.65138   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -222.90434  -230.65138   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -219.81563  -230.65138   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -209.86815  -230.65138   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -222.21733  -230.65138   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -226.64432  -230.65138   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -226.49830  -230.65138   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -226.76170  -230.65138   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -226.77854  -230.65138   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -226.39601  -230.65138   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -226.20309  -230.65138   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -228.20612  -230.65138   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -226.53844  -230.65138   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -226.76792  -230.65138   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -227.34574  -230.65138   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -227.77387  -230.65138   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -226.56413  -230.65138   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -226.11025  -230.65138   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -222.13127  -230.65138   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -226.86794  -230.65138   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -222.44708  -230.65138   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -223.48717  -230.65138   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -226.80017  -230.65138   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -225.34510  -230.65138   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -226.48424  -230.65138   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -224.97665  -230.65138   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -227.86699  -230.65138   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -227.42354  -230.65138   37
  Found two species comparison        sp          neph     1.50000     6.00000  -220.40575  -230.65138   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -228.17708  -230.65138   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -225.08836  -230.65138   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -215.14089  -230.65138   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -227.70232  -230.65138   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -225.29755  -230.65138   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -225.81760  -230.65138   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -227.47410  -230.65138   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -226.74657  -230.65138   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -228.00751  -230.65138   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -227.78578  -230.65138   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -226.91073  -230.65138   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -224.27689  -230.65138   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -224.27041  -230.65138   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -213.21766  -230.65138   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -222.20884  -230.65138   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -212.26136  -230.65138   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -222.72888  -230.65138   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -212.78141  -230.65138   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -224.38538  -230.65138   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -214.43791  -230.65138   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -223.65785  -230.65138   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -213.71038  -230.65138   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -224.91879  -230.65138   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -224.69707  -230.65138   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -225.36637  -230.65138   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -221.18817  -230.65138   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -214.97132  -230.65138   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -214.74959  -230.65138   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -220.39263  -230.65138   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -211.24070  -230.65138   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -226.51593  -230.65138   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -227.65477  -230.65138   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -228.57218  -230.65138   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -225.48347  -230.65138   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -215.53599  -230.65138   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -228.05352  -230.65138   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -225.69266  -230.65138   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -226.21271  -230.65138   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -227.86921  -230.65138   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -227.14167  -230.65138   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -228.40262  -230.65138   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -228.18089  -230.65138   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -227.30584  -230.65138   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -224.67200  -230.65138   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -224.62161  -230.65138   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -213.56886  -230.65138   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -222.60394  -230.65138   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -212.65647  -230.65138   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -223.12399  -230.65138   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -213.17652  -230.65138   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -224.78049  -230.65138   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -214.83302  -230.65138   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -224.05296  -230.65138   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -214.10548  -230.65138   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -225.31390  -230.65138   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -225.09217  -230.65138   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -225.76148  -230.65138   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -221.58328  -230.65138   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -215.36643  -230.65138   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -215.14470  -230.65138   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -220.78774  -230.65138   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -211.63581  -230.65138  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -226.77933  -230.65138  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -227.85233  -230.65138  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -228.59744  -230.65138  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -225.50873  -230.65138  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -215.56125  -230.65138  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -228.07597  -230.65138  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -225.71792  -230.65138  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -226.23797  -230.65138  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -227.89447  -230.65138  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -227.16693  -230.65138  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -228.42788  -230.65138  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -228.20615  -230.65138  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -227.33110  -230.65138  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -224.69726  -230.65138  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -224.64407  -230.65138  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -213.59132  -230.65138  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -222.62920  -230.65138  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -212.68173  -230.65138  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -223.14925  -230.65138  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -213.20178  -230.65138  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -224.80575  -230.65138  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -214.85828  -230.65138  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -224.07822  -230.65138  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -214.13074  -230.65138  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -225.33916  -230.65138  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -225.11743  -230.65138  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -225.78674  -230.65138  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -221.60854  -230.65138  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -215.39169  -230.65138  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -215.16996  -230.65138  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -220.81300  -230.65138  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -211.66107  -230.65138  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -226.79617  -230.65138  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -227.86496  -230.65138  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -227.11860  -230.65138  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -224.02988  -230.65138  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -214.08241  -230.65138  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -226.42246  -230.65138  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -227.97208  -230.65138  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -224.65476  -230.65138  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -226.73275  -230.65138  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -223.64403  -230.65138  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -213.69655  -230.65138  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -226.22953  -230.65138  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -227.84346  -230.65138  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -228.91787  -230.65138  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -225.82915  -230.65138  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -215.88167  -230.65138  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -228.25902  -230.65138  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -229.66516  -230.65138  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -227.40345  -230.65138  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -224.31473  -230.65138  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -214.36726  -230.65138  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -226.56488  -230.65138  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -228.06703  -230.65138  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -228.16829  -230.65138  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -224.77370  -230.65138  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -214.82623  -230.65138  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -226.79437  -230.65138  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -228.22002  -230.65138  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -229.17417  -230.65138  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -227.45483  -230.65138  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -227.95103  -230.65138  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -227.38806  -230.65138  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -229.02506  -230.65138  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -223.25942  -230.65138  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -224.29951  -230.65138  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -227.61251  -230.65138  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -226.15744  -230.65138  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -227.29505  -230.65138  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -224.27988  -230.65138  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -228.43743  -230.65138  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -227.99398  -230.65138  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -220.97620  -230.65138  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -227.11503  -230.65138  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -220.48338  -230.65138  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -227.79503  -230.65138  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -228.73111  -230.65138  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -224.36612  -230.65138  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -214.41864  -230.65138  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -226.59058  -230.65138  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -228.08416  -230.65138  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -224.24456  -230.65138  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -226.15257  -230.65138  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -228.33868  -230.65138  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -212.30760  -230.65138  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -222.17358  -230.65138  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -226.12813  -230.65138  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -226.91328  -230.65138  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -228.83237  -230.65138  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -220.17070  -230.65138  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -210.22322  -230.65138  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -222.49997  -230.65138  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -226.78564  -230.65138  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -221.21079  -230.65138  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -211.26332  -230.65138  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -223.54007  -230.65138  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -227.30569  -230.65138  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -224.52379  -230.65138  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -214.57632  -230.65138  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -226.85306  -230.65138  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -228.96219  -230.65138  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -223.06872  -230.65138  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -213.12125  -230.65138  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -225.39800  -230.65138  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -228.23465  -230.65138  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -225.38252  -230.65138  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -214.25886  -230.65138  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -226.51069  -230.65138  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -228.03090  -230.65138  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -221.19116  -230.65138  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -225.34871  -230.65138  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -224.90526  -230.65138  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -217.88748  -230.65138  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -212.41915  -230.65138  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -225.00310  -230.65138  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -227.02584  -230.65138  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -215.40124  -230.65138  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -214.95778  -230.65138  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -207.94000  -230.65138  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -226.48577  -230.65138  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -229.04412  -230.65138  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -227.47643  -230.65138  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -220.45865  -230.65138  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -229.49560  -230.65138  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -230.65138  -230.65138  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -225.76498  -230.65138  227
 319 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -240.39381        19.00000      1673.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -232.03349  -240.39381    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -234.68995  -240.39381    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -231.74055  -240.39381    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -222.10399  -240.39381    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -235.04185  -240.39381    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -232.09244  -240.39381    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -222.45588  -240.39381    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -235.03709  -240.39381    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -232.08769  -240.39381    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -222.45113  -240.39381   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -232.71261  -240.39381   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -229.76321  -240.39381   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -220.12665  -240.39381   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -231.97835  -240.39381   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -236.33124  -240.39381   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -235.94854  -240.39381   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -236.18313  -240.39381   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -236.17996  -240.39381   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -235.93555  -240.39381   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -235.72501  -240.39381   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -237.91783  -240.39381   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -236.04200  -240.39381   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -236.19432  -240.39381   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -236.97504  -240.39381   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -237.33141  -240.39381   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -236.09347  -240.39381   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -235.79528  -240.39381   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -231.94065  -240.39381   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -236.48206  -240.39381   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -232.12011  -240.39381   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -233.21125  -240.39381   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -236.29006  -240.39381   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -234.80419  -240.39381   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -235.96583  -240.39381   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -234.40590  -240.39381   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -238.00394  -240.39381   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -237.17691  -240.39381   37
  Found two species comparison        sp          neph     1.50000     6.00000  -230.18068  -240.39381   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -237.63212  -240.39381   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -234.68272  -240.39381   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -225.04616  -240.39381   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -237.14010  -240.39381   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -234.73326  -240.39381   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -235.27883  -240.39381   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -236.81823  -240.39381   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -236.07530  -240.39381   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -237.67517  -240.39381   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -237.26166  -240.39381   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -236.29801  -240.39381   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -233.76355  -240.39381   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -233.86298  -240.39381   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -223.15569  -240.39381   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -231.78386  -240.39381   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -222.14729  -240.39381   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.32943  -240.39381   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -222.69286  -240.39381   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -233.86883  -240.39381   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -224.23227  -240.39381   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -233.12590  -240.39381   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -223.48933  -240.39381   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -234.72577  -240.39381   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -234.31226  -240.39381   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -234.82330  -240.39381   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -230.81415  -240.39381   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -225.08921  -240.39381   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -224.67569  -240.39381   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -230.00502  -240.39381   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -221.17758  -240.39381   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -235.93015  -240.39381   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -237.11865  -240.39381   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -237.98402  -240.39381   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -235.03462  -240.39381   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -225.39805  -240.39381   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -237.45289  -240.39381   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -235.08516  -240.39381   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -235.63072  -240.39381   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -237.17013  -240.39381   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -236.42720  -240.39381   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -238.02707  -240.39381   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -237.61355  -240.39381   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -236.64990  -240.39381   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -234.11544  -240.39381   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -234.17578  -240.39381   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -223.46848  -240.39381   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.13575  -240.39381   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -222.49919  -240.39381   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.68132  -240.39381   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -223.04476  -240.39381   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -234.22073  -240.39381   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -224.58416  -240.39381   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -233.47779  -240.39381   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -223.84123  -240.39381   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -235.07767  -240.39381   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -234.66415  -240.39381   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -235.17520  -240.39381   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -231.16604  -240.39381   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -225.44110  -240.39381   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -225.02759  -240.39381   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -230.35692  -240.39381   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -221.52948  -240.39381  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -236.16475  -240.39381  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -237.29460  -240.39381  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -237.97926  -240.39381  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -235.02986  -240.39381  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -225.39330  -240.39381  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -237.44867  -240.39381  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -235.08040  -240.39381  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -235.62597  -240.39381  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -237.16538  -240.39381  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -236.42244  -240.39381  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -238.02232  -240.39381  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -237.60880  -240.39381  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -236.64515  -240.39381  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -234.11069  -240.39381  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -234.17155  -240.39381  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -223.46426  -240.39381  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.13100  -240.39381  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -222.49444  -240.39381  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -232.67657  -240.39381  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -223.04001  -240.39381  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -234.21597  -240.39381  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -224.57941  -240.39381  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -233.47304  -240.39381  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -223.83648  -240.39381  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -235.07291  -240.39381  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -234.65940  -240.39381  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -235.17045  -240.39381  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -231.16129  -240.39381  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -225.43635  -240.39381  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -225.02284  -240.39381  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -230.35216  -240.39381  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -221.52472  -240.39381  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -236.16158  -240.39381  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -237.29222  -240.39381  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -236.62150  -240.39381  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -233.67210  -240.39381  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -224.03553  -240.39381  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -235.90798  -240.39381  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -237.50003  -240.39381  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -234.49952  -240.39381  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -236.20043  -240.39381  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -233.25103  -240.39381  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -223.61446  -240.39381  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -235.69744  -240.39381  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -237.35967  -240.39381  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -238.54419  -240.39381  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -235.59479  -240.39381  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -225.95822  -240.39381  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -237.86269  -240.39381  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -239.27341  -240.39381  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -236.83440  -240.39381  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -233.88500  -240.39381  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -224.24844  -240.39381  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -236.01443  -240.39381  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -237.57100  -240.39381  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -237.77424  -240.39381  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -234.18964  -240.39381  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -224.55308  -240.39381  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -236.16675  -240.39381  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -237.67255  -240.39381  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -238.71929  -240.39381  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -236.93734  -240.39381  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -237.54016  -240.39381  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -236.93093  -240.39381  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -238.59902  -240.39381  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -232.90921  -240.39381  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -234.00035  -240.39381  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -237.07916  -240.39381  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -235.59329  -240.39381  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -236.68206  -240.39381  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -233.56219  -240.39381  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -238.32433  -240.39381  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -237.49730  -240.39381  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -230.50107  -240.39381  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -236.75302  -240.39381  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -230.32865  -240.39381  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -237.30936  -240.39381  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -238.27358  -240.39381  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -233.98794  -240.39381  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -224.35137  -240.39381  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -236.06590  -240.39381  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -237.60531  -240.39381  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -234.00088  -240.39381  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -235.75116  -240.39381  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -237.94360  -240.39381  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -222.43700  -240.39381  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -231.89654  -240.39381  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -235.80214  -240.39381  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -236.43479  -240.39381  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -238.39603  -240.39381  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -229.95981  -240.39381  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -220.32324  -240.39381  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -232.06497  -240.39381  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -236.37455  -240.39381  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -231.05095  -240.39381  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -221.41438  -240.39381  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -233.15610  -240.39381  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -236.92012  -240.39381  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -234.12976  -240.39381  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -224.49319  -240.39381  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -236.23491  -240.39381  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -238.45953  -240.39381  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -232.64389  -240.39381  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -223.00732  -240.39381  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -234.74905  -240.39381  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -237.71659  -240.39381  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -235.23817  -240.39381  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -224.09610  -240.39381  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -235.93826  -240.39381  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -237.52022  -240.39381  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -230.61279  -240.39381  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -235.37492  -240.39381  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -234.54790  -240.39381  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -227.55167  -240.39381  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -222.48102  -240.39381  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -234.37832  -240.39381  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -236.48026  -240.39381  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -225.73836  -240.39381  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -224.91133  -240.39381  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -217.91511  -240.39381  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -236.03870  -240.39381  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -239.40235  -240.39381  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -237.12176  -240.39381  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -230.12554  -240.39381  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -239.31647  -240.39381  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -240.39381  -240.39381  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -235.40484  -240.39381  227
 320 spjdanao           4.00   4.00   0.00   0.00  14.00   6.00  36.00
Number of non-zero components,phases,Gapp    5    3      -283.55487        12.00000      1873.00000
Found three species comparison        ab          sp          anao     1.33333     1.00000     2.33333  -280.04807  -283.55487    1
 Found four species comparison        ab          fo          co          anao     0.66667     2.00000     4.00000     2.66667  -280.72801  -283.55487    2
 Found four species comparison        ab          fo          alpv        anao     0.66667     2.00000     4.00000     2.66667  -278.08578  -283.55487    3
 Found four species comparison        ab          fo          appv        anao     0.66667     2.00000     4.00000     2.66667  -269.60284  -283.55487    4
 Found four species comparison        ab          mgwa        co          anao     0.66667     2.00000     4.00000     2.66667  -280.56266  -283.55487    5
 Found four species comparison        ab          mgwa        alpv        anao     0.66667     2.00000     4.00000     2.66667  -277.92042  -283.55487    6
 Found four species comparison        ab          mgwa        appv        anao     0.66667     2.00000     4.00000     2.66667  -269.43749  -283.55487    7
 Found four species comparison        ab          mgri        co          anao     0.66667     2.00000     4.00000     2.66667  -280.32895  -283.55487    8
 Found four species comparison        ab          mgri        alpv        anao     0.66667     2.00000     4.00000     2.66667  -277.68671  -283.55487    9
 Found four species comparison        ab          mgri        appv        anao     0.66667     2.00000     4.00000     2.66667  -269.20378  -283.55487   10
 Found four species comparison        ab          co          pe          anao     1.33333     4.00000     1.00000     2.33333  -279.85030  -283.55487   11
 Found four species comparison        ab          alpv        pe          anao     1.33333     4.00000     1.00000     2.33333  -277.20807  -283.55487   12
 Found four species comparison        ab          appv        pe          anao     1.33333     4.00000     1.00000     2.33333  -268.72513  -283.55487   13
Found three species comparison        ab          anao        mgcf     1.33333     2.33333     4.00000  -278.81539  -283.55487   14
Found three species comparison        ab          anao        mnal     0.66667     1.66667     2.00000  -281.10870  -283.55487   15
 Found four species comparison        sp          fo          anao        ky       0.33333     1.33333     3.00000     2.66667  -281.04415  -283.55487   16
 Found four species comparison        sp          mgwa        anao        ky       0.33333     1.33333     3.00000     2.66667  -280.93391  -283.55487   17
 Found four species comparison        sp          mgri        anao        ky       0.33333     1.33333     3.00000     2.66667  -280.77810  -283.55487   18
 Found four species comparison        sp          en          anao        ky       0.50000     1.00000     3.00000     2.00000  -281.18919  -283.55487   19
 Found four species comparison        sp          cen         anao        ky       0.50000     1.00000     3.00000     2.00000  -281.05645  -283.55487   20
Found three species comparison        sp          jd          anao     1.00000     2.00000     2.00000  -283.55487  -283.55487   21
 Found four species comparison        sp          mgc2        anao        ky       0.50000     1.00000     3.00000     2.00000  -281.20175  -283.55487   22
 Found four species comparison        sp          mgil        anao        ky       0.50000     2.00000     3.00000     2.00000  -280.58310  -283.55487   23
 Found four species comparison        sp          co          namj        anao     0.80000     1.60000     0.80000     2.20000  -281.55807  -283.55487   24
 Found four species comparison        sp          py          anao        ky       0.40000     0.80000     3.00000     1.60000  -282.05109  -283.55487   25
 Found four species comparison        sp          mgmj        anao        ky       0.50000     0.50000     3.00000     2.00000  -280.94895  -283.55487   26
 Found four species comparison        sp          namj        alpv        anao     0.80000     0.80000     1.60000     2.20000  -280.50118  -283.55487   27
 Found four species comparison        sp          namj        appv        anao     0.80000     0.80000     1.60000     2.20000  -277.10801  -283.55487   28
 Found four species comparison        sp          namj        anao        ky       0.85714     0.57143     2.42857     1.14286  -281.35927  -283.55487   29
Found three species comparison        sp          qtz         anao     1.00000     4.00000     3.00000  -279.13577  -283.55487   30
Found three species comparison        sp          coes        anao     1.00000     4.00000     3.00000  -279.83953  -283.55487   31
Found three species comparison        sp          st          anao     1.00000     4.00000     3.00000  -280.33213  -283.55487   32
Found three species comparison        sp          apbo        anao     1.00000     4.00000     3.00000  -278.86355  -283.55487   33
 Found four species comparison        sp          mgpv        anao        ky       0.50000     2.00000     3.00000     2.00000  -280.12355  -283.55487   34
 Found four species comparison        sp          mppv        anao        ky       0.50000     2.00000     3.00000     2.00000  -278.55992  -283.55487   35
Found three species comparison        sp          anao        nacf     1.00000     1.00000     4.00000  -282.33943  -283.55487   36
Found three species comparison        sp          anao        nnal     1.00000     1.00000     1.33333  -281.25159  -283.55487   37
Found three species comparison        sp          anao        neph     1.00000     1.00000     4.00000  -279.95437  -283.55487   38
 Found four species comparison        fo          jd          co          anao     2.00000     1.00000     4.00000     2.50000  -282.48141  -283.55487   39
 Found four species comparison        fo          jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -279.83918  -283.55487   40
 Found four species comparison        fo          jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -271.35624  -283.55487   41
 Found four species comparison        fo          co          namj        anao     1.77778     4.44444     0.44444     2.55556  -281.49135  -283.55487   42
 Found four species comparison        fo          co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -280.27186  -283.55487   43
 Found four species comparison        fo          co          coes        anao     2.00000     4.00000     2.00000     3.00000  -280.62374  -283.55487   44
 Found four species comparison        fo          co          st          anao     2.00000     4.00000     2.00000     3.00000  -280.87004  -283.55487   45
 Found four species comparison        fo          co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -280.13575  -283.55487   46
 Found four species comparison        fo          co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -281.87369  -283.55487   47
 Found four species comparison        fo          co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -281.32977  -283.55487   48
 Found four species comparison        fo          co          anao        ky       2.00000     2.00000     3.00000     2.00000  -281.13509  -283.55487   49
 Found four species comparison        fo          co          anao        neph     2.00000     4.00000     2.00000     2.00000  -280.68116  -283.55487   50
 Found four species comparison        fo          namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -278.55553  -283.55487   51
 Found four species comparison        fo          namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -269.13005  -283.55487   52
 Found four species comparison        fo          qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -277.62962  -283.55487   53
 Found four species comparison        fo          qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -269.14669  -283.55487   54
 Found four species comparison        fo          coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -277.98151  -283.55487   55
 Found four species comparison        fo          coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -269.49857  -283.55487   56
 Found four species comparison        fo          st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -278.22781  -283.55487   57
 Found four species comparison        fo          st          appv        anao     2.00000     2.00000     4.00000     3.00000  -269.74487  -283.55487   58
 Found four species comparison        fo          apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -277.49351  -283.55487   59
 Found four species comparison        fo          apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -269.01058  -283.55487   60
 Found four species comparison        fo          alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -279.23145  -283.55487   61
 Found four species comparison        fo          alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -278.68753  -283.55487   62
 Found four species comparison        fo          alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -279.81398  -283.55487   63
 Found four species comparison        fo          alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -278.03893  -283.55487   64
 Found four species comparison        fo          appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -270.74852  -283.55487   65
 Found four species comparison        fo          appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -270.20460  -283.55487   66
 Found four species comparison        fo          appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -275.57251  -283.55487   67
 Found four species comparison        fo          appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -269.55599  -283.55487   68
 Found four species comparison        fo          anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -280.63325  -283.55487   69
 Found four species comparison        fo          anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -281.32544  -283.55487   70
 Found four species comparison        mgwa        jd          co          anao     2.00000     1.00000     4.00000     2.50000  -282.31606  -283.55487   71
 Found four species comparison        mgwa        jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -279.67382  -283.55487   72
 Found four species comparison        mgwa        jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -271.19089  -283.55487   73
 Found four species comparison        mgwa        co          namj        anao     1.77778     4.44444     0.44444     2.55556  -281.34437  -283.55487   74
 Found four species comparison        mgwa        co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -280.10651  -283.55487   75
 Found four species comparison        mgwa        co          coes        anao     2.00000     4.00000     2.00000     3.00000  -280.45839  -283.55487   76
 Found four species comparison        mgwa        co          st          anao     2.00000     4.00000     2.00000     3.00000  -280.70469  -283.55487   77
 Found four species comparison        mgwa        co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -279.97039  -283.55487   78
 Found four species comparison        mgwa        co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -281.70833  -283.55487   79
 Found four species comparison        mgwa        co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -281.16442  -283.55487   80
 Found four species comparison        mgwa        co          anao        ky       2.00000     2.00000     3.00000     2.00000  -280.96974  -283.55487   81
 Found four species comparison        mgwa        co          anao        neph     2.00000     4.00000     2.00000     2.00000  -280.51581  -283.55487   82
 Found four species comparison        mgwa        namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -278.40856  -283.55487   83
 Found four species comparison        mgwa        namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -268.98307  -283.55487   84
 Found four species comparison        mgwa        qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -277.46427  -283.55487   85
 Found four species comparison        mgwa        qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -268.98134  -283.55487   86
 Found four species comparison        mgwa        coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -277.81615  -283.55487   87
 Found four species comparison        mgwa        coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -269.33322  -283.55487   88
 Found four species comparison        mgwa        st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -278.06245  -283.55487   89
 Found four species comparison        mgwa        st          appv        anao     2.00000     2.00000     4.00000     3.00000  -269.57952  -283.55487   90
 Found four species comparison        mgwa        apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -277.32816  -283.55487   91
 Found four species comparison        mgwa        apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -268.84522  -283.55487   92
 Found four species comparison        mgwa        alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -279.06610  -283.55487   93
 Found four species comparison        mgwa        alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -278.52218  -283.55487   94
 Found four species comparison        mgwa        alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -279.64863  -283.55487   95
 Found four species comparison        mgwa        alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -277.87357  -283.55487   96
 Found four species comparison        mgwa        appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -270.58316  -283.55487   97
 Found four species comparison        mgwa        appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -270.03925  -283.55487   98
 Found four species comparison        mgwa        appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -275.40716  -283.55487   99
 Found four species comparison        mgwa        appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -269.39064  -283.55487  100
 Found four species comparison        mgwa        anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -280.52302  -283.55487  101
 Found four species comparison        mgwa        anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -281.24276  -283.55487  102
 Found four species comparison        mgri        jd          co          anao     2.00000     1.00000     4.00000     2.50000  -282.08235  -283.55487  103
 Found four species comparison        mgri        jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -279.44011  -283.55487  104
 Found four species comparison        mgri        jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -270.95718  -283.55487  105
 Found four species comparison        mgri        co          namj        anao     1.77778     4.44444     0.44444     2.55556  -281.13663  -283.55487  106
 Found four species comparison        mgri        co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -279.87280  -283.55487  107
 Found four species comparison        mgri        co          coes        anao     2.00000     4.00000     2.00000     3.00000  -280.22468  -283.55487  108
 Found four species comparison        mgri        co          st          anao     2.00000     4.00000     2.00000     3.00000  -280.47098  -283.55487  109
 Found four species comparison        mgri        co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -279.73668  -283.55487  110
 Found four species comparison        mgri        co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -281.47462  -283.55487  111
 Found four species comparison        mgri        co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -280.93071  -283.55487  112
 Found four species comparison        mgri        co          anao        ky       2.00000     2.00000     3.00000     2.00000  -280.73603  -283.55487  113
 Found four species comparison        mgri        co          anao        neph     2.00000     4.00000     2.00000     2.00000  -280.28210  -283.55487  114
 Found four species comparison        mgri        namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -278.20081  -283.55487  115
 Found four species comparison        mgri        namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -268.77533  -283.55487  116
 Found four species comparison        mgri        qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -277.23056  -283.55487  117
 Found four species comparison        mgri        qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -268.74763  -283.55487  118
 Found four species comparison        mgri        coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -277.58244  -283.55487  119
 Found four species comparison        mgri        coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -269.09951  -283.55487  120
 Found four species comparison        mgri        st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -277.82874  -283.55487  121
 Found four species comparison        mgri        st          appv        anao     2.00000     2.00000     4.00000     3.00000  -269.34581  -283.55487  122
 Found four species comparison        mgri        apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -277.09445  -283.55487  123
 Found four species comparison        mgri        apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -268.61151  -283.55487  124
 Found four species comparison        mgri        alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -278.83239  -283.55487  125
 Found four species comparison        mgri        alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -278.28847  -283.55487  126
 Found four species comparison        mgri        alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -279.41492  -283.55487  127
 Found four species comparison        mgri        alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -277.63986  -283.55487  128
 Found four species comparison        mgri        appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -270.34945  -283.55487  129
 Found four species comparison        mgri        appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -269.80554  -283.55487  130
 Found four species comparison        mgri        appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -275.17345  -283.55487  131
 Found four species comparison        mgri        appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -269.15693  -283.55487  132
 Found four species comparison        mgri        anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -280.36721  -283.55487  133
 Found four species comparison        mgri        anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -281.12591  -283.55487  134
Found three species comparison        en          co          anao     2.00000     4.00000     3.00000  -281.51613  -283.55487  135
Found three species comparison        en          alpv        anao     2.00000     4.00000     3.00000  -278.87389  -283.55487  136
Found three species comparison        en          appv        anao     2.00000     4.00000     3.00000  -270.39096  -283.55487  137
 Found four species comparison        en          anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -280.57285  -283.55487  138
 Found four species comparison        en          anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -281.51590  -283.55487  139
  Found two species comparison        mgts        anao     4.00000     3.00000  -280.26544  -283.55487  140
Found three species comparison        cen         co          anao     2.00000     4.00000     3.00000  -281.25065  -283.55487  141
Found three species comparison        cen         alpv        anao     2.00000     4.00000     3.00000  -278.60841  -283.55487  142
Found three species comparison        cen         appv        anao     2.00000     4.00000     3.00000  -270.12548  -283.55487  143
 Found four species comparison        cen         anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -280.44011  -283.55487  144
 Found four species comparison        cen         anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -281.42740  -283.55487  145
 Found four species comparison        jd          co          pe          anao     2.00000     4.00000     1.00000     2.00000  -283.29631  -283.55487  146
 Found four species comparison        jd          alpv        pe          anao     2.00000     4.00000     1.00000     2.00000  -280.65408  -283.55487  147
 Found four species comparison        jd          appv        pe          anao     2.00000     4.00000     1.00000     2.00000  -272.17114  -283.55487  148
Found three species comparison        jd          anao        mgcf     2.00000     2.00000     4.00000  -282.32219  -283.55487  149
Found three species comparison        jd          anao        mnal     1.00000     1.50000     2.00000  -282.86210  -283.55487  150
Found three species comparison        mgc2        co          anao     2.00000     4.00000     3.00000  -281.54126  -283.55487  151
Found three species comparison        mgc2        alpv        anao     2.00000     4.00000     3.00000  -278.89903  -283.55487  152
Found three species comparison        mgc2        appv        anao     2.00000     4.00000     3.00000  -270.41609  -283.55487  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -280.58541  -283.55487  154
 Found four species comparison        mgc2        anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -281.52427  -283.55487  155
Found three species comparison        mgil        co          anao     4.00000     4.00000     3.00000  -281.14790  -283.55487  156
Found three species comparison        mgil        alpv        anao     4.00000     4.00000     3.00000  -277.66172  -283.55487  157
Found three species comparison        mgil        appv        anao     4.00000     4.00000     3.00000  -269.17878  -283.55487  158
 Found four species comparison        mgil        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -279.96676  -283.55487  159
 Found four species comparison        mgil        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -281.11184  -283.55487  160
Found three species comparison        co          py          anao     2.66667     1.33333     3.00000  -282.84366  -283.55487  161
Found three species comparison        co          mgmj        anao     4.00000     1.00000     3.00000  -281.03565  -283.55487  162
 Found four species comparison        co          namj        pe          anao     4.80000     0.80000     0.80000     2.20000  -281.45767  -283.55487  163
 Found four species comparison        co          namj        anao        mgcf     1.60000     0.80000     2.20000     3.20000  -280.57193  -283.55487  164
 Found four species comparison        co          namj        anao        mnal     0.88889     0.44444     1.66667     1.77778  -281.82974  -283.55487  165
 Found four species comparison        co          qtz         pe          anao     4.00000     4.00000     1.00000     3.00000  -279.05169  -283.55487  166
 Found four species comparison        co          coes        pe          anao     4.00000     4.00000     1.00000     3.00000  -279.75545  -283.55487  167
 Found four species comparison        co          st          pe          anao     4.00000     4.00000     1.00000     3.00000  -280.24805  -283.55487  168
 Found four species comparison        co          apbo        pe          anao     4.00000     4.00000     1.00000     3.00000  -278.77946  -283.55487  169
Found three species comparison        co          mgpv        anao     4.00000     4.00000     3.00000  -279.38485  -283.55487  170
Found three species comparison        co          mppv        anao     4.00000     4.00000     3.00000  -276.25759  -283.55487  171
 Found four species comparison        co          pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -281.88408  -283.55487  172
 Found four species comparison        co          pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -280.79624  -283.55487  173
 Found four species comparison        co          pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -279.49903  -283.55487  174
Found three species comparison        py          alpv        anao     1.33333     2.66667     3.00000  -281.08217  -283.55487  175
Found three species comparison        py          appv        anao     1.33333     2.66667     3.00000  -275.42688  -283.55487  176
 Found four species comparison        py          anao        mgcf        ky       0.80000     3.00000     1.60000     1.60000  -281.55802  -283.55487  177
 Found four species comparison        py          anao        mnal        ky       0.57143     2.42857     1.14286     1.14286  -282.08487  -283.55487  178
Found three species comparison        mgmj        alpv        anao     1.00000     4.00000     3.00000  -278.39341  -283.55487  179
Found three species comparison        mgmj        appv        anao     1.00000     4.00000     3.00000  -269.91048  -283.55487  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.50000     3.00000     2.00000     2.00000  -280.33261  -283.55487  181
 Found four species comparison        mgmj        anao        mnal        ky       0.33333     2.33333     1.33333     1.33333  -281.35574  -283.55487  182
 Found four species comparison        namj        alpv        pe          anao     0.80000     4.80000     0.80000     2.20000  -278.28699  -283.55487  183
 Found four species comparison        namj        alpv        anao        mgcf     0.80000     1.60000     2.20000     3.20000  -279.51504  -283.55487  184
 Found four species comparison        namj        alpv        anao        mnal     0.44444     0.88889     1.66667     1.77778  -281.24258  -283.55487  185
 Found four species comparison        namj        appv        pe          anao     0.80000     4.80000     0.80000     2.20000  -268.10747  -283.55487  186
 Found four species comparison        namj        appv        anao        mgcf     0.80000     1.60000     2.20000     3.20000  -276.12186  -283.55487  187
 Found four species comparison        namj        appv        anao        mnal     0.44444     0.88889     1.66667     1.77778  -279.35748  -283.55487  188
 Found four species comparison        namj        anao        mgcf        ky       0.57143     2.42857     3.42857     1.14286  -280.30268  -283.55487  189
 Found four species comparison        namj        anao        mnal        ky       0.30769     1.76923     1.84615     0.61538  -281.73314  -283.55487  190
 Found four species comparison        qtz         alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -276.40945  -283.55487  191
 Found four species comparison        qtz         appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -267.92652  -283.55487  192
Found three species comparison        qtz         anao        mgcf     4.00000     3.00000     4.00000  -277.90309  -283.55487  193
Found three species comparison        qtz         anao        mnal     2.00000     2.00000     2.00000  -280.65255  -283.55487  194
 Found four species comparison        coes        alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -277.11322  -283.55487  195
 Found four species comparison        coes        appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -268.63028  -283.55487  196
Found three species comparison        coes        anao        mgcf     4.00000     3.00000     4.00000  -278.60685  -283.55487  197
Found three species comparison        coes        anao        mnal     2.00000     2.00000     2.00000  -281.00443  -283.55487  198
 Found four species comparison        st          alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -277.60581  -283.55487  199
 Found four species comparison        st          appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -269.12288  -283.55487  200
Found three species comparison        st          anao        mgcf     4.00000     3.00000     4.00000  -279.09945  -283.55487  201
Found three species comparison        st          anao        mnal     2.00000     2.00000     2.00000  -281.25073  -283.55487  202
 Found four species comparison        apbo        alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -276.13723  -283.55487  203
 Found four species comparison        apbo        appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -267.65429  -283.55487  204
Found three species comparison        apbo        anao        mgcf     4.00000     3.00000     4.00000  -277.63087  -283.55487  205
Found three species comparison        apbo        anao        mnal     2.00000     2.00000     2.00000  -280.51643  -283.55487  206
Found three species comparison        mgpv        alpv        anao     4.00000     4.00000     3.00000  -278.34809  -283.55487  207
Found three species comparison        mgpv        appv        anao     4.00000     4.00000     3.00000  -268.25968  -283.55487  208
 Found four species comparison        mgpv        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -279.50721  -283.55487  209
 Found four species comparison        mgpv        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -280.80547  -283.55487  210
Found three species comparison        alpv        mppv        anao     4.00000     4.00000     3.00000  -273.61536  -283.55487  211
 Found four species comparison        alpv        pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -279.24184  -283.55487  212
 Found four species comparison        alpv        pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -278.15401  -283.55487  213
 Found four species comparison        alpv        pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -276.85679  -283.55487  214
Found three species comparison        mppv        appv        anao     4.00000     4.00000     3.00000  -266.73727  -283.55487  215
 Found four species comparison        mppv        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -277.94358  -283.55487  216
 Found four species comparison        mppv        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -279.76305  -283.55487  217
 Found four species comparison        appv        pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -270.75891  -283.55487  218
 Found four species comparison        appv        pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -269.67107  -283.55487  219
 Found four species comparison        appv        pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -268.37386  -283.55487  220
Found three species comparison        pe          anao        ky       1.00000     3.00000     4.00000  -280.77816  -283.55487  221
Found three species comparison        anao        mgcf        nacf     1.00000     4.00000     4.00000  -282.66677  -283.55487  222
Found three species comparison        anao        mgcf        nnal     1.00000     4.00000     1.33333  -280.01891  -283.55487  223
Found three species comparison        anao        mgcf        neph     1.00000     4.00000     4.00000  -278.72169  -283.55487  224
Found three species comparison        anao        nacf        mnal     1.00000     2.00000     2.00000  -282.25437  -283.55487  225
Found three species comparison        anao        mnal        nnal     1.00000     2.00000     0.66667  -283.11413  -283.55487  226
Found three species comparison        anao        mnal        neph     1.00000     2.00000     2.00000  -281.06185  -283.55487  227
 321 spjdanao           4.00   4.00   0.00   0.00  14.00   6.00  36.00
Number of non-zero components,phases,Gapp    5    3      -277.94529        13.00000      1873.00000
Found three species comparison        ab          sp          anao     1.33333     1.00000     2.33333  -274.18811  -277.94529    1
 Found four species comparison        ab          fo          co          anao     0.66667     2.00000     4.00000     2.66667  -275.07940  -277.94529    2
 Found four species comparison        ab          fo          alpv        anao     0.66667     2.00000     4.00000     2.66667  -272.46368  -277.94529    3
 Found four species comparison        ab          fo          appv        anao     0.66667     2.00000     4.00000     2.66667  -264.02670  -277.94529    4
 Found four species comparison        ab          mgwa        co          anao     0.66667     2.00000     4.00000     2.66667  -274.98132  -277.94529    5
 Found four species comparison        ab          mgwa        alpv        anao     0.66667     2.00000     4.00000     2.66667  -272.36559  -277.94529    6
 Found four species comparison        ab          mgwa        appv        anao     0.66667     2.00000     4.00000     2.66667  -263.92861  -277.94529    7
 Found four species comparison        ab          mgri        co          anao     0.66667     2.00000     4.00000     2.66667  -274.77858  -277.94529    8
 Found four species comparison        ab          mgri        alpv        anao     0.66667     2.00000     4.00000     2.66667  -272.16286  -277.94529    9
 Found four species comparison        ab          mgri        appv        anao     0.66667     2.00000     4.00000     2.66667  -263.72588  -277.94529   10
 Found four species comparison        ab          co          pe          anao     1.33333     4.00000     1.00000     2.33333  -274.12769  -277.94529   11
 Found four species comparison        ab          alpv        pe          anao     1.33333     4.00000     1.00000     2.33333  -271.51197  -277.94529   12
 Found four species comparison        ab          appv        pe          anao     1.33333     4.00000     1.00000     2.33333  -263.07499  -277.94529   13
Found three species comparison        ab          anao        mgcf     1.33333     2.33333     4.00000  -273.11647  -277.94529   14
Found three species comparison        ab          anao        mnal     0.66667     1.66667     2.00000  -275.63922  -277.94529   15
 Found four species comparison        sp          fo          anao        ky       0.33333     1.33333     3.00000     2.66667  -275.51076  -277.94529   16
 Found four species comparison        sp          mgwa        anao        ky       0.33333     1.33333     3.00000     2.66667  -275.44537  -277.94529   17
 Found four species comparison        sp          mgri        anao        ky       0.33333     1.33333     3.00000     2.66667  -275.31021  -277.94529   18
 Found four species comparison        sp          en          anao        ky       0.50000     1.00000     3.00000     2.00000  -275.64538  -277.94529   19
 Found four species comparison        sp          cen         anao        ky       0.50000     1.00000     3.00000     2.00000  -275.50214  -277.94529   20
Found three species comparison        sp          jd          anao     1.00000     2.00000     2.00000  -277.94529  -277.94529   21
 Found four species comparison        sp          mgc2        anao        ky       0.50000     1.00000     3.00000     2.00000  -275.66548  -277.94529   22
 Found four species comparison        sp          mgil        anao        ky       0.50000     2.00000     3.00000     2.00000  -275.15054  -277.94529   23
 Found four species comparison        sp          co          namj        anao     0.80000     1.60000     0.80000     2.20000  -276.11326  -277.94529   24
 Found four species comparison        sp          py          anao        ky       0.40000     0.80000     3.00000     1.60000  -276.56472  -277.94529   25
 Found four species comparison        sp          mgmj        anao        ky       0.50000     0.50000     3.00000     2.00000  -275.46155  -277.94529   26
 Found four species comparison        sp          namj        alpv        anao     0.80000     0.80000     1.60000     2.20000  -275.06697  -277.94529   27
 Found four species comparison        sp          namj        appv        anao     0.80000     0.80000     1.60000     2.20000  -271.69217  -277.94529   28
 Found four species comparison        sp          namj        anao        ky       0.85714     0.57143     2.42857     1.14286  -275.87541  -277.94529   29
Found three species comparison        sp          qtz         anao     1.00000     4.00000     3.00000  -273.40875  -277.94529   30
Found three species comparison        sp          coes        anao     1.00000     4.00000     3.00000  -274.16611  -277.94529   31
Found three species comparison        sp          st          anao     1.00000     4.00000     3.00000  -274.96113  -277.94529   32
Found three species comparison        sp          apbo        anao     1.00000     4.00000     3.00000  -273.51343  -277.94529   33
 Found four species comparison        sp          mgpv        anao        ky       0.50000     2.00000     3.00000     2.00000  -274.73704  -277.94529   34
 Found four species comparison        sp          mppv        anao        ky       0.50000     2.00000     3.00000     2.00000  -273.19614  -277.94529   35
Found three species comparison        sp          anao        nacf     1.00000     1.00000     4.00000  -276.98065  -277.94529   36
Found three species comparison        sp          anao        nnal     1.00000     1.00000     1.33333  -275.89501  -277.94529   37
Found three species comparison        sp          anao        neph     1.00000     1.00000     4.00000  -273.85021  -277.94529   38
 Found four species comparison        fo          jd          co          anao     2.00000     1.00000     4.00000     2.50000  -276.95799  -277.94529   39
 Found four species comparison        fo          jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -274.34227  -277.94529   40
 Found four species comparison        fo          jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -265.90528  -277.94529   41
 Found four species comparison        fo          co          namj        anao     1.77778     4.44444     0.44444     2.55556  -276.04989  -277.94529   42
 Found four species comparison        fo          co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -274.68972  -277.94529   43
 Found four species comparison        fo          co          coes        anao     2.00000     4.00000     2.00000     3.00000  -275.06840  -277.94529   44
 Found four species comparison        fo          co          st          anao     2.00000     4.00000     2.00000     3.00000  -275.46591  -277.94529   45
 Found four species comparison        fo          co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -274.74206  -277.94529   46
 Found four species comparison        fo          co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -276.47567  -277.94529   47
 Found four species comparison        fo          co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -275.93285  -277.94529   48
 Found four species comparison        fo          co          anao        ky       2.00000     2.00000     3.00000     2.00000  -275.62574  -277.94529   49
 Found four species comparison        fo          co          anao        neph     2.00000     4.00000     2.00000     2.00000  -274.91045  -277.94529   50
 Found four species comparison        fo          namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -273.14353  -277.94529   51
 Found four species comparison        fo          namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -263.76911  -277.94529   52
 Found four species comparison        fo          qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -272.07399  -277.94529   53
 Found four species comparison        fo          qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -263.63701  -277.94529   54
 Found four species comparison        fo          coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -272.45267  -277.94529   55
 Found four species comparison        fo          coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -264.01569  -277.94529   56
 Found four species comparison        fo          st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -272.85018  -277.94529   57
 Found four species comparison        fo          st          appv        anao     2.00000     2.00000     4.00000     3.00000  -264.41320  -277.94529   58
 Found four species comparison        fo          apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -272.12633  -277.94529   59
 Found four species comparison        fo          apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -263.68935  -277.94529   60
 Found four species comparison        fo          alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -273.85995  -277.94529   61
 Found four species comparison        fo          alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -273.31713  -277.94529   62
 Found four species comparison        fo          alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -274.31788  -277.94529   63
 Found four species comparison        fo          alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -272.29472  -277.94529   64
 Found four species comparison        fo          appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -265.42296  -277.94529   65
 Found four species comparison        fo          appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -264.88014  -277.94529   66
 Found four species comparison        fo          appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -270.09939  -277.94529   67
 Found four species comparison        fo          appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -263.85774  -277.94529   68
 Found four species comparison        fo          anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -275.15355  -277.94529   69
 Found four species comparison        fo          anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -275.90565  -277.94529   70
 Found four species comparison        mgwa        jd          co          anao     2.00000     1.00000     4.00000     2.50000  -276.85991  -277.94529   71
 Found four species comparison        mgwa        jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -274.24418  -277.94529   72
 Found four species comparison        mgwa        jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -265.80720  -277.94529   73
 Found four species comparison        mgwa        co          namj        anao     1.77778     4.44444     0.44444     2.55556  -275.96271  -277.94529   74
 Found four species comparison        mgwa        co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -274.59163  -277.94529   75
 Found four species comparison        mgwa        co          coes        anao     2.00000     4.00000     2.00000     3.00000  -274.97032  -277.94529   76
 Found four species comparison        mgwa        co          st          anao     2.00000     4.00000     2.00000     3.00000  -275.36782  -277.94529   77
 Found four species comparison        mgwa        co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -274.64398  -277.94529   78
 Found four species comparison        mgwa        co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -276.37759  -277.94529   79
 Found four species comparison        mgwa        co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -275.83477  -277.94529   80
 Found four species comparison        mgwa        co          anao        ky       2.00000     2.00000     3.00000     2.00000  -275.52766  -277.94529   81
 Found four species comparison        mgwa        co          anao        neph     2.00000     4.00000     2.00000     2.00000  -274.81236  -277.94529   82
 Found four species comparison        mgwa        namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -273.05635  -277.94529   83
 Found four species comparison        mgwa        namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -263.68192  -277.94529   84
 Found four species comparison        mgwa        qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -271.97591  -277.94529   85
 Found four species comparison        mgwa        qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -263.53893  -277.94529   86
 Found four species comparison        mgwa        coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -272.35459  -277.94529   87
 Found four species comparison        mgwa        coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -263.91761  -277.94529   88
 Found four species comparison        mgwa        st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -272.75210  -277.94529   89
 Found four species comparison        mgwa        st          appv        anao     2.00000     2.00000     4.00000     3.00000  -264.31512  -277.94529   90
 Found four species comparison        mgwa        apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -272.02825  -277.94529   91
 Found four species comparison        mgwa        apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -263.59127  -277.94529   92
 Found four species comparison        mgwa        alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -273.76186  -277.94529   93
 Found four species comparison        mgwa        alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -273.21904  -277.94529   94
 Found four species comparison        mgwa        alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -274.21980  -277.94529   95
 Found four species comparison        mgwa        alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -272.19664  -277.94529   96
 Found four species comparison        mgwa        appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -265.32488  -277.94529   97
 Found four species comparison        mgwa        appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -264.78206  -277.94529   98
 Found four species comparison        mgwa        appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -270.00131  -277.94529   99
 Found four species comparison        mgwa        appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -263.75966  -277.94529  100
 Found four species comparison        mgwa        anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -275.08816  -277.94529  101
 Found four species comparison        mgwa        anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -275.85661  -277.94529  102
 Found four species comparison        mgri        jd          co          anao     2.00000     1.00000     4.00000     2.50000  -276.65717  -277.94529  103
 Found four species comparison        mgri        jd          alpv        anao     2.00000     1.00000     4.00000     2.50000  -274.04145  -277.94529  104
 Found four species comparison        mgri        jd          appv        anao     2.00000     1.00000     4.00000     2.50000  -265.60447  -277.94529  105
 Found four species comparison        mgri        co          namj        anao     1.77778     4.44444     0.44444     2.55556  -275.78250  -277.94529  106
 Found four species comparison        mgri        co          qtz         anao     2.00000     4.00000     2.00000     3.00000  -274.38890  -277.94529  107
 Found four species comparison        mgri        co          coes        anao     2.00000     4.00000     2.00000     3.00000  -274.76758  -277.94529  108
 Found four species comparison        mgri        co          st          anao     2.00000     4.00000     2.00000     3.00000  -275.16509  -277.94529  109
 Found four species comparison        mgri        co          apbo        anao     2.00000     4.00000     2.00000     3.00000  -274.44124  -277.94529  110
 Found four species comparison        mgri        co          anao        nacf     2.00000     4.00000     2.00000     2.00000  -276.17485  -277.94529  111
 Found four species comparison        mgri        co          anao        nnal     2.00000     4.00000     2.00000     0.66667  -275.63203  -277.94529  112
 Found four species comparison        mgri        co          anao        ky       2.00000     2.00000     3.00000     2.00000  -275.32492  -277.94529  113
 Found four species comparison        mgri        co          anao        neph     2.00000     4.00000     2.00000     2.00000  -274.60963  -277.94529  114
 Found four species comparison        mgri        namj        alpv        anao     1.77778     0.44444     4.44444     2.55556  -272.87614  -277.94529  115
 Found four species comparison        mgri        namj        appv        anao     1.77778     0.44444     4.44444     2.55556  -263.50171  -277.94529  116
 Found four species comparison        mgri        qtz         alpv        anao     2.00000     2.00000     4.00000     3.00000  -271.77317  -277.94529  117
 Found four species comparison        mgri        qtz         appv        anao     2.00000     2.00000     4.00000     3.00000  -263.33619  -277.94529  118
 Found four species comparison        mgri        coes        alpv        anao     2.00000     2.00000     4.00000     3.00000  -272.15186  -277.94529  119
 Found four species comparison        mgri        coes        appv        anao     2.00000     2.00000     4.00000     3.00000  -263.71487  -277.94529  120
 Found four species comparison        mgri        st          alpv        anao     2.00000     2.00000     4.00000     3.00000  -272.54936  -277.94529  121
 Found four species comparison        mgri        st          appv        anao     2.00000     2.00000     4.00000     3.00000  -264.11238  -277.94529  122
 Found four species comparison        mgri        apbo        alpv        anao     2.00000     2.00000     4.00000     3.00000  -271.82552  -277.94529  123
 Found four species comparison        mgri        apbo        appv        anao     2.00000     2.00000     4.00000     3.00000  -263.38853  -277.94529  124
 Found four species comparison        mgri        alpv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -273.55913  -277.94529  125
 Found four species comparison        mgri        alpv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -273.01631  -277.94529  126
 Found four species comparison        mgri        alpv        anao        ky       2.00000     2.00000     3.00000     2.00000  -274.01706  -277.94529  127
 Found four species comparison        mgri        alpv        anao        neph     2.00000     4.00000     2.00000     2.00000  -271.99390  -277.94529  128
 Found four species comparison        mgri        appv        anao        nacf     2.00000     4.00000     2.00000     2.00000  -265.12215  -277.94529  129
 Found four species comparison        mgri        appv        anao        nnal     2.00000     4.00000     2.00000     0.66667  -264.57933  -277.94529  130
 Found four species comparison        mgri        appv        anao        ky       2.00000     2.00000     3.00000     2.00000  -269.79857  -277.94529  131
 Found four species comparison        mgri        appv        anao        neph     2.00000     4.00000     2.00000     2.00000  -263.55692  -277.94529  132
 Found four species comparison        mgri        anao        mgcf        ky       1.33333     3.00000     1.33333     2.66667  -274.95300  -277.94529  133
 Found four species comparison        mgri        anao        mnal        ky       1.00000     2.50000     1.00000     2.00000  -275.75524  -277.94529  134
Found three species comparison        en          co          anao     2.00000     4.00000     3.00000  -276.00997  -277.94529  135
Found three species comparison        en          alpv        anao     2.00000     4.00000     3.00000  -273.39424  -277.94529  136
Found three species comparison        en          appv        anao     2.00000     4.00000     3.00000  -264.95726  -277.94529  137
 Found four species comparison        en          anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -275.10956  -277.94529  138
 Found four species comparison        en          anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -276.12703  -277.94529  139
  Found two species comparison        mgts        anao     4.00000     3.00000  -274.70233  -277.94529  140
Found three species comparison        cen         co          anao     2.00000     4.00000     3.00000  -275.72348  -277.94529  141
Found three species comparison        cen         alpv        anao     2.00000     4.00000     3.00000  -273.10775  -277.94529  142
Found three species comparison        cen         appv        anao     2.00000     4.00000     3.00000  -264.67077  -277.94529  143
 Found four species comparison        cen         anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -274.96632  -277.94529  144
 Found four species comparison        cen         anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -276.03154  -277.94529  145
 Found four species comparison        jd          co          pe          anao     2.00000     4.00000     1.00000     2.00000  -277.82408  -277.94529  146
 Found four species comparison        jd          alpv        pe          anao     2.00000     4.00000     1.00000     2.00000  -275.20836  -277.94529  147
 Found four species comparison        jd          appv        pe          anao     2.00000     4.00000     1.00000     2.00000  -266.77138  -277.94529  148
Found three species comparison        jd          anao        mgcf     2.00000     2.00000     4.00000  -276.87365  -277.94529  149
Found three species comparison        jd          anao        mnal     1.00000     1.50000     2.00000  -277.51781  -277.94529  150
Found three species comparison        mgc2        co          anao     2.00000     4.00000     3.00000  -276.05017  -277.94529  151
Found three species comparison        mgc2        alpv        anao     2.00000     4.00000     3.00000  -273.43444  -277.94529  152
Found three species comparison        mgc2        appv        anao     2.00000     4.00000     3.00000  -264.99746  -277.94529  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.00000     3.00000     2.00000     2.00000  -275.12966  -277.94529  154
 Found four species comparison        mgc2        anao        mnal        ky       0.66667     2.33333     1.33333     1.33333  -276.14043  -277.94529  155
Found three species comparison        mgil        co          anao     4.00000     4.00000     3.00000  -275.86424  -277.94529  156
Found three species comparison        mgil        alpv        anao     4.00000     4.00000     3.00000  -272.40457  -277.94529  157
Found three species comparison        mgil        appv        anao     4.00000     4.00000     3.00000  -263.96759  -277.94529  158
 Found four species comparison        mgil        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -274.61472  -277.94529  159
 Found four species comparison        mgil        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -275.79714  -277.94529  160
Found three species comparison        co          py          anao     2.66667     1.33333     3.00000  -277.42067  -277.94529  161
Found three species comparison        co          mgmj        anao     4.00000     1.00000     3.00000  -275.64230  -277.94529  162
 Found four species comparison        co          namj        pe          anao     4.80000     0.80000     0.80000     2.20000  -276.12274  -277.94529  163
 Found four species comparison        co          namj        anao        mgcf     1.60000     0.80000     2.20000     3.20000  -275.25594  -277.94529  164
 Found four species comparison        co          namj        anao        mnal     0.88889     0.44444     1.66667     1.77778  -276.54751  -277.94529  165
 Found four species comparison        co          qtz         pe          anao     4.00000     4.00000     1.00000     3.00000  -273.46201  -277.94529  166
 Found four species comparison        co          coes        pe          anao     4.00000     4.00000     1.00000     3.00000  -274.21938  -277.94529  167
 Found four species comparison        co          st          pe          anao     4.00000     4.00000     1.00000     3.00000  -275.01439  -277.94529  168
 Found four species comparison        co          apbo        pe          anao     4.00000     4.00000     1.00000     3.00000  -273.56670  -277.94529  169
Found three species comparison        co          mgpv        anao     4.00000     4.00000     3.00000  -274.19329  -277.94529  170
Found three species comparison        co          mppv        anao     4.00000     4.00000     3.00000  -271.11149  -277.94529  171
 Found four species comparison        co          pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -276.66266  -277.94529  172
 Found four species comparison        co          pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -275.57702  -277.94529  173
 Found four species comparison        co          pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -273.53221  -277.94529  174
Found three species comparison        py          alpv        anao     1.33333     2.66667     3.00000  -275.67685  -277.94529  175
Found three species comparison        py          appv        anao     1.33333     2.66667     3.00000  -270.05220  -277.94529  176
 Found four species comparison        py          anao        mgcf        ky       0.80000     3.00000     1.60000     1.60000  -276.13606  -277.94529  177
 Found four species comparison        py          anao        mnal        ky       0.57143     2.42857     1.14286     1.14286  -276.71489  -277.94529  178
Found three species comparison        mgmj        alpv        anao     1.00000     4.00000     3.00000  -273.02658  -277.94529  179
Found three species comparison        mgmj        appv        anao     1.00000     4.00000     3.00000  -264.58960  -277.94529  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.50000     3.00000     2.00000     2.00000  -274.92573  -277.94529  181
 Found four species comparison        mgmj        anao        mnal        ky       0.33333     2.33333     1.33333     1.33333  -276.00448  -277.94529  182
 Found four species comparison        namj        alpv        pe          anao     0.80000     4.80000     0.80000     2.20000  -272.98387  -277.94529  183
 Found four species comparison        namj        alpv        anao        mgcf     0.80000     1.60000     2.20000     3.20000  -274.20966  -277.94529  184
 Found four species comparison        namj        alpv        anao        mnal     0.44444     0.88889     1.66667     1.77778  -275.96624  -277.94529  185
 Found four species comparison        namj        appv        pe          anao     0.80000     4.80000     0.80000     2.20000  -262.85949  -277.94529  186
 Found four species comparison        namj        appv        anao        mgcf     0.80000     1.60000     2.20000     3.20000  -270.83486  -277.94529  187
 Found four species comparison        namj        appv        anao        mnal     0.44444     0.88889     1.66667     1.77778  -274.09136  -277.94529  188
 Found four species comparison        namj        anao        mgcf        ky       0.57143     2.42857     3.42857     1.14286  -274.95686  -277.94529  189
 Found four species comparison        namj        anao        mnal        ky       0.30769     1.76923     1.84615     0.61538  -276.43615  -277.94529  190
 Found four species comparison        qtz         alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -270.84629  -277.94529  191
 Found four species comparison        qtz         appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -262.40931  -277.94529  192
Found three species comparison        qtz         anao        mgcf     4.00000     3.00000     4.00000  -272.33711  -277.94529  193
Found three species comparison        qtz         anao        mnal     2.00000     2.00000     2.00000  -275.24954  -277.94529  194
 Found four species comparison        coes        alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -271.60365  -277.94529  195
 Found four species comparison        coes        appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -263.16667  -277.94529  196
Found three species comparison        coes        anao        mgcf     4.00000     3.00000     4.00000  -273.09447  -277.94529  197
Found three species comparison        coes        anao        mnal     2.00000     2.00000     2.00000  -275.62822  -277.94529  198
 Found four species comparison        st          alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -272.39867  -277.94529  199
 Found four species comparison        st          appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -263.96169  -277.94529  200
Found three species comparison        st          anao        mgcf     4.00000     3.00000     4.00000  -273.88949  -277.94529  201
Found three species comparison        st          anao        mnal     2.00000     2.00000     2.00000  -276.02573  -277.94529  202
 Found four species comparison        apbo        alpv        pe          anao     4.00000     4.00000     1.00000     3.00000  -270.95097  -277.94529  203
 Found four species comparison        apbo        appv        pe          anao     4.00000     4.00000     1.00000     3.00000  -262.51399  -277.94529  204
Found three species comparison        apbo        anao        mgcf     4.00000     3.00000     4.00000  -272.44179  -277.94529  205
Found three species comparison        apbo        anao        mnal     2.00000     2.00000     2.00000  -275.30188  -277.94529  206
Found three species comparison        mgpv        alpv        anao     4.00000     4.00000     3.00000  -273.18305  -277.94529  207
Found three species comparison        mgpv        appv        anao     4.00000     4.00000     3.00000  -263.14059  -277.94529  208
 Found four species comparison        mgpv        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -274.20122  -277.94529  209
 Found four species comparison        mgpv        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -275.52147  -277.94529  210
Found three species comparison        alpv        mppv        anao     4.00000     4.00000     3.00000  -268.49577  -277.94529  211
 Found four species comparison        alpv        pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -274.04693  -277.94529  212
 Found four species comparison        alpv        pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -272.96129  -277.94529  213
 Found four species comparison        alpv        pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -270.91649  -277.94529  214
Found three species comparison        mppv        appv        anao     4.00000     4.00000     3.00000  -261.66363  -277.94529  215
 Found four species comparison        mppv        anao        mgcf        ky       2.00000     3.00000     2.00000     2.00000  -272.66032  -277.94529  216
 Found four species comparison        mppv        anao        mnal        ky       1.33333     2.33333     1.33333     1.33333  -274.49421  -277.94529  217
 Found four species comparison        appv        pe          anao        nacf     4.00000     1.00000     1.00000     4.00000  -265.60995  -277.94529  218
 Found four species comparison        appv        pe          anao        nnal     4.00000     1.00000     1.00000     1.33333  -264.52431  -277.94529  219
 Found four species comparison        appv        pe          anao        neph     4.00000     1.00000     1.00000     4.00000  -262.47951  -277.94529  220
Found three species comparison        pe          anao        ky       1.00000     3.00000     4.00000  -275.33406  -277.94529  221
Found three species comparison        anao        mgcf        nacf     1.00000     4.00000     4.00000  -277.46903  -277.94529  222
Found three species comparison        anao        mgcf        nnal     1.00000     4.00000     1.33333  -274.82337  -277.94529  223
Found three species comparison        anao        mgcf        neph     1.00000     4.00000     4.00000  -272.77857  -277.94529  224
Found three species comparison        anao        nacf        mnal     1.00000     2.00000     2.00000  -277.03549  -277.94529  225
Found three species comparison        anao        mnal        nnal     1.00000     2.00000     0.66667  -277.89635  -277.94529  226
Found three species comparison        anao        mnal        neph     1.00000     2.00000     2.00000  -275.47027  -277.94529  227
 322 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -276.13618        14.00000      1873.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -271.18405  -276.13618    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -272.43713  -276.13618    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -269.47821  -276.13618    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -259.88908  -276.13618    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -272.39990  -276.13618    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -269.44098  -276.13618    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -259.85186  -276.13618    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -272.20274  -276.13618    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -269.24381  -276.13618    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -259.65469  -276.13618   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -271.05350  -276.13618   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -268.09458  -276.13618   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -258.50545  -276.13618   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -270.14202  -276.13618   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -273.27832  -276.13618   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -273.05617  -276.13618   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -273.03135  -276.13618   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -272.89991  -276.13618   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -273.19785  -276.13618   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -273.02255  -276.13618   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -275.74972  -276.13618   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -273.22935  -276.13618   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -272.75681  -276.13618   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -273.84147  -276.13618   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -274.31255  -276.13618   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -273.05067  -276.13618   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -272.65790  -276.13618   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -268.82225  -276.13618   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -273.52652  -276.13618   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -270.43922  -276.13618   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -271.36077  -276.13618   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -272.60841  -276.13618   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -270.97748  -276.13618   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -272.33618  -276.13618   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -270.60084  -276.13618   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -274.92905  -276.13618   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -273.69137  -276.13618   37
  Found two species comparison        sp          neph     1.50000     6.00000  -270.52566  -276.13618   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -274.71996  -276.13618   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -271.76104  -276.13618   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -262.17191  -276.13618   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -273.77424  -276.13618   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -272.06471  -276.13618   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -272.52549  -276.13618   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -273.14931  -276.13618   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -272.33384  -276.13618   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -274.30963  -276.13618   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -273.69079  -276.13618   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -273.21468  -276.13618   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -272.10793  -276.13618   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -270.48655  -276.13618   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -259.83197  -276.13618   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -269.10579  -276.13618   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -259.51667  -276.13618   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -269.56657  -276.13618   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -259.97744  -276.13618   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -270.19038  -276.13618   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -260.60126  -276.13618   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -269.37492  -276.13618   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -259.78580  -276.13618   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -271.35071  -276.13618   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -270.73187  -276.13618   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -271.73522  -276.13618   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -269.14901  -276.13618   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -261.76158  -276.13618   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -261.14274  -276.13618   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -266.94065  -276.13618   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -259.55989  -276.13618   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -272.70882  -276.13618   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -273.63527  -276.13618   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -274.68273  -276.13618   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -271.72381  -276.13618   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -262.13469  -276.13618   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -273.74115  -276.13618   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -272.02748  -276.13618   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -272.48826  -276.13618   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -273.11208  -276.13618   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -272.29661  -276.13618   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -274.27240  -276.13618   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -273.65356  -276.13618   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -273.17745  -276.13618   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -272.07070  -276.13618   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -270.45345  -276.13618   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -259.79887  -276.13618   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -269.06856  -276.13618   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -259.47944  -276.13618   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -269.52934  -276.13618   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -259.94021  -276.13618   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -270.15315  -276.13618   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -260.56403  -276.13618   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -269.33769  -276.13618   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -259.74857  -276.13618   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -271.31348  -276.13618   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -270.69464  -276.13618   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -271.69799  -276.13618   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -269.11178  -276.13618   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -261.72435  -276.13618   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -261.10551  -276.13618   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -266.90342  -276.13618   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -259.52266  -276.13618  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -272.68400  -276.13618  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -273.61666  -276.13618  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -274.48557  -276.13618  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -271.52665  -276.13618  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -261.93752  -276.13618  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -273.56589  -276.13618  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -271.83032  -276.13618  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -272.29110  -276.13618  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -272.91491  -276.13618  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -272.09945  -276.13618  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -274.07524  -276.13618  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -273.45640  -276.13618  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -272.98029  -276.13618  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -271.87354  -276.13618  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -270.27820  -276.13618  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -259.62362  -276.13618  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -268.87140  -276.13618  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -259.28228  -276.13618  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -269.33217  -276.13618  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -259.74305  -276.13618  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -269.95599  -276.13618  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -260.36687  -276.13618  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -269.14053  -276.13618  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -259.55140  -276.13618  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -271.11631  -276.13618  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -270.49747  -276.13618  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -271.50082  -276.13618  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -268.91462  -276.13618  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -261.52719  -276.13618  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -260.90835  -276.13618  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -266.70626  -276.13618  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -259.32550  -276.13618  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -272.55256  -276.13618  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -273.51808  -276.13618  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -273.65655  -276.13618  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -270.69762  -276.13618  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -261.10850  -276.13618  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -272.67683  -276.13618  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -273.92276  -276.13618  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -272.10246  -276.13618  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -273.30596  -276.13618  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -270.34703  -276.13618  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -260.75791  -276.13618  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -272.50153  -276.13618  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -273.80590  -276.13618  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -275.54179  -276.13618  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -272.58286  -276.13618  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -262.99374  -276.13618  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -274.70768  -276.13618  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -275.56115  -276.13618  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -273.71954  -276.13618  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -270.76062  -276.13618  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -261.17150  -276.13618  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -272.70833  -276.13618  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -273.94376  -276.13618  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -273.73899  -276.13618  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -269.81555  -276.13618  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -260.22643  -276.13618  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -272.23579  -276.13618  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -273.62873  -276.13618  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -275.36149  -276.13618  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -273.36219  -276.13618  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -273.76731  -276.13618  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -273.00784  -276.13618  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -274.52196  -276.13618  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -270.45619  -276.13618  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -271.37774  -276.13618  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -272.62537  -276.13618  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -270.99445  -276.13618  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -271.93322  -276.13618  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -268.46254  -276.13618  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -274.25050  -276.13618  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -273.01282  -276.13618  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -269.84711  -276.13618  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -273.38887  -276.13618  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -266.99612  -276.13618  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -273.89574  -276.13618  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -274.61542  -276.13618  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -270.40326  -276.13618  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -260.81414  -276.13618  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -272.52965  -276.13618  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -273.82464  -276.13618  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -270.21660  -276.13618  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -271.82427  -276.13618  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -273.86442  -276.13618  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -258.70965  -276.13618  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -267.98862  -276.13618  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -271.73351  -276.13618  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -272.63334  -276.13618  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -274.37855  -276.13618  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -267.49726  -276.13618  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -257.90814  -276.13618  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -269.39718  -276.13618  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -272.90590  -276.13618  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -268.41882  -276.13618  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -258.82970  -276.13618  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -270.31874  -276.13618  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -273.36668  -276.13618  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -269.66645  -276.13618  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -260.07733  -276.13618  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -271.56637  -276.13618  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -273.99049  -276.13618  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -268.03552  -276.13618  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -258.44640  -276.13618  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -269.93544  -276.13618  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -273.17503  -276.13618  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -270.80913  -276.13618  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -259.38518  -276.13618  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -271.81517  -276.13618  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -273.34832  -276.13618  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -265.50361  -276.13618  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -271.29158  -276.13618  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -270.05389  -276.13618  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -266.88818  -276.13618  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -257.74860  -276.13618  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -270.07983  -276.13618  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -272.19142  -276.13618  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -261.70245  -276.13618  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -260.46477  -276.13618  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -257.29906  -276.13618  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -272.75612  -276.13618  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -275.66990  -276.13618  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -272.64934  -276.13618  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -269.48362  -276.13618  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -275.15082  -276.13618  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -276.13618  -276.13618  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -272.94912  -276.13618  227
 323 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -260.84572        17.00000      1873.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -253.86164  -260.84572    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -255.77851  -260.84572    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -252.91199  -260.84572    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -243.48547  -260.84572    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -255.95480  -260.84572    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -253.08828  -260.84572    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -243.66176  -260.84572    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -255.85646  -260.84572    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -252.98994  -260.84572    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -243.56342  -260.84572   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -254.18958  -260.84572   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -251.32306  -260.84572   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -241.89653  -260.84572   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -253.36045  -260.84572   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -257.20537  -260.84572   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -256.74429  -260.84572   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -256.86181  -260.84572   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -256.79625  -260.84572   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -256.84706  -260.84572   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -256.64001  -260.84572   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -259.16170  -260.84572   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -256.90403  -260.84572   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -256.76545  -260.84572   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -257.79443  -260.84572   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -258.14598  -260.84572   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -256.88093  -260.84572   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -256.64782  -260.84572   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -252.87721  -260.84572   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -257.35852  -260.84572   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -253.51864  -260.84572   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -254.58126  -260.84572   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -256.80842  -260.84572   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -255.24659  -260.84572   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -256.49701  -260.84572   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -254.83709  -260.84572   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -259.15958  -260.84572   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -257.93392  -260.84572   37
  Found two species comparison        sp          neph     1.50000     6.00000  -252.42062  -260.84572   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -258.42854  -260.84572   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -255.56203  -260.84572   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -246.13550  -260.84572   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -257.75041  -260.84572   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -255.60701  -260.84572   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -256.13832  -260.84572   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -257.25190  -260.84572   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -256.47099  -260.84572   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -258.42748  -260.84572   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -257.81465  -260.84572   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -256.98206  -260.84572   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -255.05800  -260.84572   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -254.56539  -260.84572   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -244.09147  -260.84572   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -252.74049  -260.84572   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -243.31397  -260.84572   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -253.27180  -260.84572   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -243.84528  -260.84572   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -254.38538  -260.84572   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -244.95886  -260.84572   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -253.60447  -260.84572   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -244.17795  -260.84572   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -255.56096  -260.84572   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -254.94814  -260.84572   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -255.54880  -260.84572   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -252.19148  -260.84572   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -246.13444  -260.84572   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -245.52161  -260.84572   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -250.83554  -260.84572   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -242.76496  -260.84572   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -256.57722  -260.84572   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -257.69549  -260.84572   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -258.60483  -260.84572   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -255.73832  -260.84572   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -246.31179  -260.84572   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -257.90711  -260.84572   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -255.78330  -260.84572   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -256.31461  -260.84572   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -257.42819  -260.84572   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -256.64728  -260.84572   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -258.60377  -260.84572   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -257.99094  -260.84572   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -257.15835  -260.84572   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -255.23429  -260.84572   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -254.72209  -260.84572   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -244.24818  -260.84572   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -252.91678  -260.84572   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -243.49026  -260.84572   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -253.44809  -260.84572   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -244.02157  -260.84572   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -254.56167  -260.84572   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -245.13515  -260.84572   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -253.78076  -260.84572   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -244.35424  -260.84572   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -255.73725  -260.84572   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -255.12443  -260.84572   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -255.72509  -260.84572   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -252.36777  -260.84572   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -246.31073  -260.84572   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -245.69790  -260.84572   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -251.01183  -260.84572   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -242.94125  -260.84572  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -256.69475  -260.84572  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -257.78364  -260.84572  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -258.50649  -260.84572  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -255.63998  -260.84572  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -246.21345  -260.84572  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -257.81970  -260.84572  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -255.68496  -260.84572  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -256.21627  -260.84572  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -257.32985  -260.84572  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -256.54894  -260.84572  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -258.50543  -260.84572  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -257.89260  -260.84572  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -257.06001  -260.84572  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -255.13595  -260.84572  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -254.63468  -260.84572  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -244.16076  -260.84572  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -252.81844  -260.84572  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -243.39192  -260.84572  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -253.34976  -260.84572  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -243.92323  -260.84572  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -254.46334  -260.84572  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -245.03681  -260.84572  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -253.68242  -260.84572  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -244.25590  -260.84572  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -255.63891  -260.84572  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -255.02609  -260.84572  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -255.62675  -260.84572  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -252.26943  -260.84572  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -246.21239  -260.84572  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -245.59956  -260.84572  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -250.91349  -260.84572  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -242.84291  -260.84572  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -256.62919  -260.84572  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -257.73447  -260.84572  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -257.42539  -260.84572  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -254.55887  -260.84572  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -245.13234  -260.84572  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -256.59647  -260.84572  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -258.08108  -260.84572  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -255.72055  -260.84572  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -257.01128  -260.84572  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -254.14476  -260.84572  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -244.71824  -260.84572  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -256.38942  -260.84572  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -257.94304  -260.84572  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -259.41227  -260.84572  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -256.54575  -260.84572  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -247.11923  -260.84572  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -258.66052  -260.84572  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -259.85540  -260.84572  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -257.53931  -260.84572  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -254.67280  -260.84572  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -245.24627  -260.84572  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -256.65343  -260.84572  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -258.11905  -260.84572  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -258.22668  -260.84572  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -254.39565  -260.84572  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -244.96912  -260.84572  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -256.51486  -260.84572  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -258.02667  -260.84572  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -259.39747  -260.84572  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -257.49312  -260.84572  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -258.08707  -260.84572  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -257.39348  -260.84572  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -259.01873  -260.84572  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -253.99410  -260.84572  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -255.05672  -260.84572  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -257.28388  -260.84572  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -255.72206  -260.84572  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -256.72528  -260.84572  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -253.40543  -260.84572  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -258.93952  -260.84572  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -257.71386  -260.84572  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -252.20056  -260.84572  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -257.48646  -260.84572  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -251.20211  -260.84572  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -257.94550  -260.84572  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -258.83258  -260.84572  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -254.62661  -260.84572  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -245.20008  -260.84572  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -256.63034  -260.84572  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -258.10366  -260.84572  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -254.64725  -260.84572  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -256.24687  -260.84572  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -258.38173  -260.84572  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -243.33542  -260.84572  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -252.47626  -260.84572  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -256.28694  -260.84572  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -256.92893  -260.84572  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -258.83110  -260.84572  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -251.12758  -260.84572  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -241.70106  -260.84572  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -253.01745  -260.84572  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -257.03387  -260.84572  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -252.19021  -260.84572  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -242.76368  -260.84572  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -254.08007  -260.84572  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -257.56518  -260.84572  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -254.41737  -260.84572  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -244.99084  -260.84572  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -256.30723  -260.84572  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -258.67876  -260.84572  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -252.85554  -260.84572  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -243.42902  -260.84572  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -254.74541  -260.84572  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -257.89785  -260.84572  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -255.69359  -260.84572  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -244.43224  -260.84572  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -256.24642  -260.84572  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -257.84771  -260.84572  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -250.53892  -260.84572  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -256.07300  -260.84572  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -254.84735  -260.84572  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -249.33404  -260.84572  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -242.94650  -260.84572  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -254.58649  -260.84572  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -256.74109  -260.84572  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -246.64647  -260.84572  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -245.42082  -260.84572  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -239.90752  -260.84572  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -256.74420  -260.84572  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -260.44127  -260.84572  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -257.43274  -260.84572  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -251.91943  -260.84572  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -259.85434  -260.84572  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -260.84572  -260.84572  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -256.48486  -260.84572  227
 324 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -255.79315        18.00000      1873.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -248.16613  -255.79315    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -250.29194  -255.79315    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -247.45652  -255.79315    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -238.08510  -255.79315    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -250.53601  -255.79315    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -247.70059  -255.79315    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -238.32916  -255.79315    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -250.46913  -255.79315    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -247.63371  -255.79315    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -238.26228  -255.79315   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -248.64450  -255.79315   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -245.80908  -255.79315   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -236.43765  -255.79315   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -247.84307  -255.79315   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -251.90831  -255.79315   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -251.36350  -255.79315   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -251.52621  -255.79315   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -251.48162  -255.79315   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -251.45231  -255.79315   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -251.23579  -255.79315   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -253.68572  -255.79315   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -251.51782  -255.79315   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -251.48635  -255.79315   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -252.49395  -255.79315   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -252.81047  -255.79315   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -251.54441  -255.79315   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -251.35979  -255.79315   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -247.61122  -255.79315   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -252.02036  -255.79315   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -247.94547  -255.79315   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -249.04735  -255.79315   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -251.58906  -255.79315   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -250.04974  -255.79315   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -251.26755  -255.79315   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -249.63224  -255.79315   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -253.94817  -255.79315   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -252.72739  -255.79315   37
  Found two species comparison        sp          neph     1.50000     6.00000  -246.47793  -255.79315   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -253.05173  -255.79315   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -250.21632  -255.79315   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -240.84489  -255.79315   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -252.46008  -255.79315   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -250.18161  -255.79315   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -250.73255  -255.79315   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -252.00340  -255.79315   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -251.23374  -255.79315   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -253.18296  -255.79315   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -252.57257  -255.79315   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -251.62706  -255.79315   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -249.44784  -255.79315   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -249.30962  -255.79315   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -238.89692  -255.79315   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -247.34619  -255.79315   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -237.97477  -255.79315   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -247.89713  -255.79315   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -238.52571  -255.79315   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -249.16799  -255.79315   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -239.79656  -255.79315   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -248.39833  -255.79315   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -239.02690  -255.79315   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -250.34754  -255.79315   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -249.73715  -255.79315   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -250.20935  -255.79315   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -246.61242  -255.79315   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -240.97612  -255.79315   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -240.36572  -255.79315   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -245.52364  -255.79315   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -237.24100  -255.79315   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -251.25581  -255.79315   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -252.43525  -255.79315   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -253.29580  -255.79315   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -250.46038  -255.79315   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -241.08896  -255.79315   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -252.67703  -255.79315   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -250.42568  -255.79315   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -250.97662  -255.79315   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -252.24747  -255.79315   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -251.47781  -255.79315   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -253.42703  -255.79315   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -252.81664  -255.79315   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -251.87113  -255.79315   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -249.69191  -255.79315   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -249.52657  -255.79315   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -239.11387  -255.79315   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -247.59026  -255.79315   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -238.21883  -255.79315   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -248.14120  -255.79315   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -238.76977  -255.79315   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -249.41205  -255.79315   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -240.04063  -255.79315   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -248.64239  -255.79315   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -239.27097  -255.79315   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -250.59161  -255.79315   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -249.98122  -255.79315   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -250.45342  -255.79315   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -246.85649  -255.79315   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -241.22018  -255.79315   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -240.60979  -255.79315   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -245.76770  -255.79315   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -237.48506  -255.79315  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -251.41852  -255.79315  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -252.55728  -255.79315  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -253.22892  -255.79315  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -250.39350  -255.79315  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -241.02208  -255.79315  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -252.61758  -255.79315  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -250.35880  -255.79315  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -250.90974  -255.79315  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -252.18059  -255.79315  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -251.41093  -255.79315  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -253.36015  -255.79315  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -252.74976  -255.79315  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -251.80425  -255.79315  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -249.62503  -255.79315  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -249.46712  -255.79315  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -239.05442  -255.79315  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -247.52338  -255.79315  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -238.15195  -255.79315  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -248.07432  -255.79315  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -238.70289  -255.79315  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -249.34517  -255.79315  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -239.97375  -255.79315  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -248.57552  -255.79315  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -239.20409  -255.79315  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -250.52473  -255.79315  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -249.91434  -255.79315  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -250.38654  -255.79315  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -246.78961  -255.79315  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -241.15330  -255.79315  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -240.54291  -255.79315  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -245.70083  -255.79315  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -237.41818  -255.79315  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -251.37394  -255.79315  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -252.52384  -255.79315  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -252.06824  -255.79315  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -249.23282  -255.79315  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -239.86140  -255.79315  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -251.29078  -255.79315  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -252.85170  -255.79315  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -250.32132  -255.79315  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -251.63521  -255.79315  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -248.79979  -255.79315  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -239.42836  -255.79315  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -251.07426  -255.79315  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -252.70736  -255.79315  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -254.08671  -255.79315  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -251.25130  -255.79315  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -241.87987  -255.79315  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -253.36266  -255.79315  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -254.66811  -255.79315  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -252.19926  -255.79315  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -249.36384  -255.79315  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -239.99242  -255.79315  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -251.35629  -255.79315  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -252.89538  -255.79315  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -253.10084  -255.79315  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -249.30091  -255.79315  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -239.92948  -255.79315  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -251.32482  -255.79315  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -252.87440  -255.79315  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -254.12653  -255.79315  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -252.25245  -255.79315  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -252.90693  -255.79315  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -252.23551  -255.79315  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -253.89686  -255.79315  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -248.57136  -255.79315  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -249.67324  -255.79315  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -252.21495  -255.79315  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -250.67563  -255.79315  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -251.69873  -255.79315  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -248.42810  -255.79315  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -253.87854  -255.79315  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -252.65776  -255.79315  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -246.40830  -255.79315  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -252.23625  -255.79315  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -245.98863  -255.79315  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -252.68124  -255.79315  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -253.62190  -255.79315  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -249.41704  -255.79315  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -240.04561  -255.79315  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -251.38288  -255.79315  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -252.91311  -255.79315  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -249.50443  -255.79315  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -251.10134  -255.79315  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -253.26677  -255.79315  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -238.25872  -255.79315  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -247.35277  -255.79315  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -251.18423  -255.79315  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -251.74345  -255.79315  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -253.69581  -255.79315  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -245.73595  -255.79315  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -236.36452  -255.79315  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -247.62242  -255.79315  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -251.79799  -255.79315  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -246.83782  -255.79315  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -237.46640  -255.79315  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -248.72429  -255.79315  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -252.34892  -255.79315  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -249.37953  -255.79315  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -240.00811  -255.79315  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -251.26600  -255.79315  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -253.61978  -255.79315  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -247.84022  -255.79315  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -238.46879  -255.79315  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -249.72668  -255.79315  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -252.85012  -255.79315  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -250.69814  -255.79315  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -239.49188  -255.79315  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -251.10602  -255.79315  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -252.72853  -255.79315  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -245.59269  -255.79315  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -251.04312  -255.79315  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -249.82234  -255.79315  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -243.57288  -255.79315  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -238.05537  -255.79315  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -249.47071  -255.79315  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -251.63832  -255.79315  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -241.67169  -255.79315  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -240.45091  -255.79315  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -234.20146  -255.79315  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -251.46226  -255.79315  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -255.40799  -255.79315  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -252.40433  -255.79315  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -246.15488  -255.79315  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -254.79933  -255.79315  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -255.79315  -255.79315  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -251.06422  -255.79315  227
 325 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -250.76187        19.00000      1873.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -242.50804  -250.76187    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -244.83700  -250.76187    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -242.03282  -250.76187    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -232.71687  -250.76187    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -245.14728  -250.76187    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -242.34309  -250.76187    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -233.02715  -250.76187    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -245.11117  -250.76187    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -242.30698  -250.76187    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -232.99104  -250.76187   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -243.13574  -250.76187   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -240.33156  -250.76187   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -231.01562  -250.76187   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -242.36214  -250.76187   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -246.64023  -250.76187   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -246.00973  -250.76187   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -246.21658  -250.76187   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -246.19251  -250.76187   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -246.08400  -250.76187   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -245.85862  -250.76187   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -248.23525  -250.76187   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -246.15812  -250.76187   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -246.23185  -250.76187   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -247.21674  -250.76187   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -247.50053  -250.76187   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -246.23348  -250.76187   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -246.09507  -250.76187   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -242.36869  -250.76187   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -246.70671  -250.76187   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -242.40412  -250.76187   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -243.54184  -250.76187   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -246.39238  -250.76187   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -244.87533  -250.76187   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -246.06220  -250.76187   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -244.45125  -250.76187   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -248.75845  -250.76187   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -247.54292  -250.76187   37
  Found two species comparison        sp          neph     1.50000     6.00000  -240.59456  -250.76187   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -247.70060  -250.76187   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -244.89642  -250.76187   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -235.58047  -250.76187   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -247.19417  -250.76187   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -244.78504  -250.76187   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -245.35390  -250.76187   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -246.77917  -250.76187   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -246.02064  -250.76187   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -247.96220  -250.76187   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -247.35444  -250.76187   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -246.29879  -250.76187   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -243.88026  -250.76187   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -244.07842  -250.76187   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -233.72736  -250.76187   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -241.98086  -250.76187   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -232.66491  -250.76187   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -242.54972  -250.76187   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -233.23377  -250.76187   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -243.97499  -250.76187   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -234.65904  -250.76187   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -243.21646  -250.76187   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -233.90051  -250.76187   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -245.15802  -250.76187   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -244.55026  -250.76187   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -244.89670  -250.76187   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -241.07608  -250.76187   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -235.84207  -250.76187   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -235.23431  -250.76187   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -240.23872  -250.76187   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -231.76013  -250.76187   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -245.96110  -250.76187   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -247.20040  -250.76187   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -248.01088  -250.76187   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -245.20670  -250.76187   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -235.89075  -250.76187   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -247.46997  -250.76187   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -245.09531  -250.76187   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -245.66417  -250.76187   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -247.08945  -250.76187   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -246.33092  -250.76187   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -248.27248  -250.76187   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -247.66472  -250.76187   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -246.60907  -250.76187   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -244.19053  -250.76187   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -244.35422  -250.76187   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -234.00316  -250.76187   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -242.29113  -250.76187   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -232.97518  -250.76187   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -242.85999  -250.76187   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -233.54404  -250.76187   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -244.28526  -250.76187   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -234.96932  -250.76187   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -243.52674  -250.76187   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -234.21079  -250.76187   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -245.46830  -250.76187   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -244.86053  -250.76187   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -245.20698  -250.76187   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -241.38635  -250.76187   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -236.15235  -250.76187   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -235.54459  -250.76187   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -240.54900  -250.76187   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -232.07040  -250.76187  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -246.16795  -250.76187  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -247.35554  -250.76187  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -247.97477  -250.76187  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -245.17059  -250.76187  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -235.85464  -250.76187  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -247.43788  -250.76187  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -245.05920  -250.76187  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -245.62806  -250.76187  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -247.05334  -250.76187  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -246.29481  -250.76187  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -248.23637  -250.76187  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -247.62861  -250.76187  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -246.57296  -250.76187  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -244.15442  -250.76187  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -244.32212  -250.76187  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -233.97107  -250.76187  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -242.25502  -250.76187  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -232.93907  -250.76187  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -242.82388  -250.76187  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -233.50793  -250.76187  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -244.24915  -250.76187  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -234.93321  -250.76187  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -243.49063  -250.76187  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -234.17468  -250.76187  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -245.43219  -250.76187  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -244.82442  -250.76187  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -245.17087  -250.76187  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -241.35024  -250.76187  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -236.11624  -250.76187  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -235.50848  -250.76187  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -240.51289  -250.76187  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -232.03429  -250.76187  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -246.14388  -250.76187  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -247.33749  -250.76187  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -246.73639  -250.76187  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -243.93221  -250.76187  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -234.61626  -250.76187  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -246.01105  -250.76187  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -247.64681  -250.76187  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -244.95094  -250.76187  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -246.28562  -250.76187  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -243.48144  -250.76187  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -234.16549  -250.76187  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -245.78567  -250.76187  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -247.49655  -250.76187  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -248.78558  -250.76187  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -245.98140  -250.76187  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -236.66545  -250.76187  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -248.08935  -250.76187  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -249.50383  -250.76187  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -246.88463  -250.76187  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -244.08045  -250.76187  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -234.76450  -250.76187  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -246.08517  -250.76187  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -247.69622  -250.76187  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -247.99659  -250.76187  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -244.22789  -250.76187  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -234.91194  -250.76187  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -246.15890  -250.76187  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -247.74537  -250.76187  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -248.87980  -250.76187  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -247.03533  -250.76187  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -247.74920  -250.76187  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -247.10003  -250.76187  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -248.79704  -250.76187  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -243.17934  -250.76187  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -244.31706  -250.76187  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -247.16761  -250.76187  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -245.65055  -250.76187  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -246.69279  -250.76187  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -243.47088  -250.76187  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -248.83815  -250.76187  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -247.62263  -250.76187  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -240.67426  -250.76187  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -247.01034  -250.76187  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -240.79971  -250.76187  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -247.44217  -250.76187  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -248.43535  -250.76187  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -244.23115  -250.76187  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -234.91521  -250.76187  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -246.16053  -250.76187  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -247.74646  -250.76187  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -244.38418  -250.76187  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -245.97835  -250.76187  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -248.17389  -250.76187  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -233.20504  -250.76187  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -242.25197  -250.76187  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -246.10368  -250.76187  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -246.58165  -250.76187  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -248.58319  -250.76187  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -240.37516  -250.76187  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -231.05922  -250.76187  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -242.25822  -250.76187  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -246.58827  -250.76187  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -241.51288  -250.76187  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -232.19694  -250.76187  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -243.39594  -250.76187  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -247.15713  -250.76187  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -244.36343  -250.76187  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -235.04748  -250.76187  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -246.24648  -250.76187  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -248.58240  -250.76187  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -242.84637  -250.76187  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -233.53042  -250.76187  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -244.72943  -250.76187  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -247.82387  -250.76187  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -245.72344  -250.76187  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -234.57266  -250.76187  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -245.98926  -250.76187  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -247.63228  -250.76187  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -240.66670  -250.76187  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -246.03397  -250.76187  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -244.81844  -250.76187  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -237.87008  -250.76187  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -233.18486  -250.76187  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -244.37830  -250.76187  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -246.55831  -250.76187  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -236.71802  -250.76187  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -235.50250  -250.76187  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -228.55413  -250.76187  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -246.20685  -250.76187  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -250.39543  -250.76187  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -247.39702  -250.76187  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -240.44866  -250.76187  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -249.76543  -250.76187  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -250.76187  -250.76187  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -245.68349  -250.76187  227
 326 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -245.75143        20.00000      1873.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -236.88632  -245.75143    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -239.41285  -245.75143    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -236.64004  -245.75143    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -227.37991  -245.75143    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -239.78784  -245.75143    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -237.01503  -245.75143    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -227.75490  -245.75143    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -239.78184  -245.75143    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -237.00902  -245.75143    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -227.74890  -245.75143   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -237.66234  -245.75143   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -234.88952  -245.75143   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -225.62939  -245.75143   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -236.91668  -245.75143   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -241.40039  -245.75143   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -240.68232  -245.75143   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -240.93231  -245.75143   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -240.92831  -245.75143   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -240.74144  -245.75143   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -240.50781  -245.75143   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -242.80964  -245.75143   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -240.82425  -245.75143   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -241.00134  -245.75143   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -241.96224  -245.75143   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -242.21554  -245.75143   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -240.94751  -245.75143   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -240.85312  -245.75143   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -237.14907  -245.75143   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -241.41697  -245.75143   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -236.89365  -245.75143   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -238.06403  -245.75143   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -241.21784  -245.75143   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -239.72281  -245.75143   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -240.88041  -245.75143   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -239.29356  -245.75143   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -243.58991  -245.75143   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -242.38001  -245.75143   37
  Found two species comparison        sp          neph     1.50000     6.00000  -234.76120  -245.75143   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -242.37451  -245.75143   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -239.60169  -245.75143   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -230.34157  -245.75143   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -241.95208  -245.75143   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -239.41652  -245.75143   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -240.00171  -245.75143   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -241.57862  -245.75143   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -240.83110  -245.75143   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -242.76465  -245.75143   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -242.15970  -245.75143   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -240.99658  -245.75143   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -238.35029  -245.75143   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -238.87118  -245.75143   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -228.58215  -245.75143   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -236.64370  -245.75143   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -227.38358  -245.75143   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -237.22889  -245.75143   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -227.96877  -245.75143   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -238.80580  -245.75143   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -229.54567  -245.75143   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -238.05828  -245.75143   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -228.79816  -245.75143   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -239.99183  -245.75143   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -239.38688  -245.75143   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -239.61018  -245.75143   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -235.57747  -245.75143   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -230.73171  -245.75143   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -230.12676  -245.75143   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -234.98011  -245.75143   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -226.31735  -245.75143   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -240.69244  -245.75143   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -241.99035  -245.75143   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -242.74950  -245.75143   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -239.97668  -245.75143   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -230.71656  -245.75143   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -242.28541  -245.75143   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -239.79151  -245.75143   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -240.37670  -245.75143   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -241.95361  -245.75143   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -241.20609  -245.75143   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -243.13964  -245.75143   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -242.53469  -245.75143   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -241.37157  -245.75143   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -238.72528  -245.75143   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -239.20450  -245.75143   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -228.91547  -245.75143   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -237.01869  -245.75143   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -227.75857  -245.75143   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -237.60388  -245.75143   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -228.34376  -245.75143   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -239.18079  -245.75143   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -229.92066  -245.75143   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -238.43327  -245.75143   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -229.17315  -245.75143   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -240.36682  -245.75143   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -239.76187  -245.75143   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -239.98517  -245.75143   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -235.95246  -245.75143   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -231.10670  -245.75143   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -230.50175  -245.75143   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -235.35510  -245.75143   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -226.69234  -245.75143  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -240.94243  -245.75143  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -242.17785  -245.75143  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -242.74350  -245.75143  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -239.97068  -245.75143  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -230.71056  -245.75143  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -242.28007  -245.75143  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -239.78551  -245.75143  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -240.37070  -245.75143  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -241.94760  -245.75143  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -241.20009  -245.75143  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -243.13364  -245.75143  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -242.52868  -245.75143  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -241.36557  -245.75143  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -238.71928  -245.75143  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -239.19917  -245.75143  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -228.91014  -245.75143  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -237.01269  -245.75143  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -227.75256  -245.75143  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -237.59788  -245.75143  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -228.33775  -245.75143  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -239.17478  -245.75143  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -229.91466  -245.75143  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -238.42727  -245.75143  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -229.16714  -245.75143  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -240.36082  -245.75143  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -239.75587  -245.75143  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -239.97916  -245.75143  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -235.94646  -245.75143  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -231.10069  -245.75143  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -230.49574  -245.75143  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -235.34910  -245.75143  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -226.68634  -245.75143  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -240.93843  -245.75143  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -242.17484  -245.75143  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -241.42910  -245.75143  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -238.65628  -245.75143  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -229.39616  -245.75143  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -240.75662  -245.75143  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -242.46578  -245.75143  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -239.60842  -245.75143  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -240.96183  -245.75143  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -238.18902  -245.75143  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -228.92889  -245.75143  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -240.52298  -245.75143  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -242.31002  -245.75143  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -243.50828  -245.75143  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -240.73546  -245.75143  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -231.47534  -245.75143  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -242.83999  -245.75143  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -244.36204  -245.75143  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -241.59472  -245.75143  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -238.82190  -245.75143  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -229.56178  -245.75143  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -240.83943  -245.75143  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -242.52098  -245.75143  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -242.91342  -245.75143  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -239.17609  -245.75143  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -229.91596  -245.75143  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -241.01652  -245.75143  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -242.63905  -245.75143  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -243.65672  -245.75143  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -241.84123  -245.75143  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -242.61334  -245.75143  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -241.98653  -245.75143  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -243.71878  -245.75143  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -237.81719  -245.75143  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -238.98757  -245.75143  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -242.14138  -245.75143  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -240.64635  -245.75143  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -241.70703  -245.75143  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -238.53334  -245.75143  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -243.81793  -245.75143  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -242.60803  -245.75143  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -234.98921  -245.75143  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -241.80817  -245.75143  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -235.63475  -245.75143  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -242.22768  -245.75143  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -243.27237  -245.75143  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -239.06841  -245.75143  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -229.80829  -245.75143  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -240.96268  -245.75143  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -242.60315  -245.75143  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -239.28596  -245.75143  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -240.87740  -245.75143  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -243.10260  -245.75143  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -228.17381  -245.75143  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -237.17335  -245.75143  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -241.04479  -245.75143  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -241.44299  -245.75143  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -243.49273  -245.75143  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -235.04437  -245.75143  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -225.78425  -245.75143  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -236.92401  -245.75143  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -241.40405  -245.75143  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -236.21476  -245.75143  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -226.95463  -245.75143  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -238.09439  -245.75143  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -241.98924  -245.75143  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -239.36857  -245.75143  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -230.10844  -245.75143  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -241.24820  -245.75143  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -243.56615  -245.75143  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -237.87353  -245.75143  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -228.61341  -245.75143  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -239.75317  -245.75143  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -242.81863  -245.75143  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -240.76904  -245.75143  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -229.67409  -245.75143  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -240.89558  -245.75143  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -242.55842  -245.75143  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -235.76052  -245.75143  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -241.04511  -245.75143  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -239.83521  -245.75143  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -232.21640  -245.75143  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -228.33451  -245.75143  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -239.30874  -245.75143  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -241.50052  -245.75143  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -231.78499  -245.75143  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -230.57508  -245.75143  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -222.95627  -245.75143  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -240.97732  -245.75143  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -245.40315  -245.75143  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -242.41036  -245.75143  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -234.79155  -245.75143  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -244.75218  -245.75143  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -245.75143  -245.75143  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -240.33782  -245.75143  227
 327 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -230.84077        23.00000      1873.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -220.22985  -230.84077    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -223.31750  -230.84077    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -220.63947  -230.84077    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -211.54858  -230.84077    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -223.87828  -230.84077    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -221.20025  -230.84077    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -212.10936  -230.84077    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -223.95886  -230.84077    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -221.28084  -230.84077    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -212.18994  -230.84077   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -221.44520  -230.84077   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -218.76717  -230.84077   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -209.67628  -230.84077   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -220.78403  -230.84077   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -225.84356  -230.84077   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -224.85186  -230.84077   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -225.22571  -230.84077   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -225.27943  -230.84077   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -224.86164  -230.84077   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -224.60705  -230.84077   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -226.67598  -230.84077   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -224.97111  -230.84077   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -225.44827  -230.84077   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -226.32978  -230.84077   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -226.50460  -230.84077   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -225.23360  -230.84077   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -225.25857  -230.84077   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -221.62221  -230.84077   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -225.68562  -230.84077   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -220.53936  -230.84077   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -221.79052  -230.84077   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -225.82209  -230.84077   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -224.39174  -230.84077   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -225.47101  -230.84077   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -223.95505  -230.84077   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -228.20697  -230.84077   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -227.01587  -230.84077   37
  Found two species comparison        sp          neph     1.50000     6.00000  -217.52783  -230.84077   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -226.54056  -230.84077   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -223.86253  -230.84077   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -214.77164  -230.84077   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -226.36327  -230.84077   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -223.47225  -230.84077   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -224.09783  -230.84077   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -226.11361  -230.84077   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -225.39844  -230.84077   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -227.30606  -230.84077   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -226.71051  -230.84077   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -225.24018  -230.84077   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -221.96648  -230.84077   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -223.38769  -230.84077   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -213.28670  -230.84077   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -220.79422  -230.84077   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -211.70333  -230.84077   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -221.41981  -230.84077   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -212.32891  -230.84077   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -223.43559  -230.84077   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -214.34469  -230.84077   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -222.72042  -230.84077   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -213.62952  -230.84077   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -224.62803  -230.84077   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -224.03248  -230.84077   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -223.90117  -230.84077   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -219.28846  -230.84077   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -215.53714  -230.84077   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -214.94159  -230.84077   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -219.35572  -230.84077   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -210.19757  -230.84077   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -225.03658  -230.84077   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -226.50321  -230.84077   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -227.10134  -230.84077   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -224.42331  -230.84077   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -215.33242  -230.84077   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -226.86174  -230.84077   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -224.03303  -230.84077   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -224.65861  -230.84077   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -226.67439  -230.84077   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -225.95922  -230.84077   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -227.86684  -230.84077   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -227.27128  -230.84077   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -225.80096  -230.84077   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -222.52726  -230.84077   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -223.88616  -230.84077   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -213.78517  -230.84077   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -221.35500  -230.84077   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -212.26411  -230.84077   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -221.98059  -230.84077   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -212.88969  -230.84077   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -223.99637  -230.84077   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -214.90547  -230.84077   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -223.28120  -230.84077   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -214.19030  -230.84077   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -225.18881  -230.84077   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -224.59326  -230.84077   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -224.46194  -230.84077   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -219.84924  -230.84077   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -216.09792  -230.84077   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -215.50237  -230.84077   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -219.91650  -230.84077   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -210.75834  -230.84077  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -225.41044  -230.84077  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -226.78360  -230.84077  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -227.18193  -230.84077  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -224.50390  -230.84077  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -215.41301  -230.84077  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -226.93338  -230.84077  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -224.11362  -230.84077  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -224.73920  -230.84077  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -226.75498  -230.84077  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -226.03981  -230.84077  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -227.94742  -230.84077  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -227.35187  -230.84077  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -225.88154  -230.84077  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -222.60785  -230.84077  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -223.95779  -230.84077  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -213.85680  -230.84077  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -221.43559  -230.84077  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -212.34470  -230.84077  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -222.06117  -230.84077  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -212.97028  -230.84077  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -224.07695  -230.84077  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -214.98606  -230.84077  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -223.36178  -230.84077  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -214.27089  -230.84077  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -225.26940  -230.84077  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -224.67385  -230.84077  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -224.54253  -230.84077  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -219.92982  -230.84077  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -216.17850  -230.84077  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -215.58295  -230.84077  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -219.99709  -230.84077  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -210.83893  -230.84077  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -225.46416  -230.84077  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -226.82389  -230.84077  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -225.64807  -230.84077  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -222.97005  -230.84077  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -213.87915  -230.84077  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -225.13873  -230.84077  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -227.06018  -230.84077  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -223.73913  -230.84077  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -225.13888  -230.84077  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -222.46085  -230.84077  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -213.36996  -230.84077  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -224.88414  -230.84077  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -226.89045  -230.84077  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -227.81395  -230.84077  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -225.13593  -230.84077  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -216.04503  -230.84077  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -227.23016  -230.84077  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -229.06662  -230.84077  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -225.86701  -230.84077  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -223.18899  -230.84077  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -214.09809  -230.84077  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -225.24820  -230.84077  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -227.13316  -230.84077  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -227.78584  -230.84077  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -224.14330  -230.84077  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -215.05240  -230.84077  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -225.72536  -230.84077  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -227.45127  -230.84077  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -228.12419  -230.84077  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -226.39199  -230.84077  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -227.33234  -230.84077  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -226.77312  -230.84077  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -228.60866  -230.84077  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -221.90223  -230.84077  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -223.15339  -230.84077  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -227.18496  -230.84077  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -225.75461  -230.84077  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -226.86680  -230.84077  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -223.83489  -230.84077  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -228.87432  -230.84077  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -227.68322  -230.84077  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -218.19517  -230.84077  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -226.33884  -230.84077  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -220.27825  -230.84077  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -226.72627  -230.84077  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -227.91965  -230.84077  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -223.71396  -230.84077  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -214.62307  -230.84077  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -225.51069  -230.84077  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -227.30816  -230.84077  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -224.11871  -230.84077  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -225.70191  -230.84077  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -228.01354  -230.84077  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -213.20964  -230.84077  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -222.06556  -230.84077  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -225.99334  -230.84077  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -226.16063  -230.84077  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -228.34945  -230.84077  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -219.22420  -230.84077  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -210.13331  -230.84077  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -221.09354  -230.84077  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -225.99831  -230.84077  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -220.47537  -230.84077  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -211.38447  -230.84077  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -222.34470  -230.84077  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -226.62389  -230.84077  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -224.50693  -230.84077  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -215.41604  -230.84077  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -226.37627  -230.84077  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -228.63967  -230.84077  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -223.07659  -230.84077  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -213.98569  -230.84077  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -224.94592  -230.84077  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -227.92450  -230.84077  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -226.02361  -230.84077  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -215.09788  -230.84077  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -225.74810  -230.84077  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -227.46643  -230.84077  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -221.15687  -230.84077  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -226.19629  -230.84077  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -225.00519  -230.84077  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -215.51715  -230.84077  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -213.90009  -230.84077  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -224.23214  -230.84077  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -226.45579  -230.84077  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -217.10540  -230.84077  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -215.91430  -230.84077  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -206.42625  -230.84077  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -225.43809  -230.84077  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -230.54403  -230.84077  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -227.57005  -230.84077  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -218.08201  -230.84077  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -229.83212  -230.84077  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -230.84077  -230.84077  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -224.49254  -230.84077  227
 328 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -211.22658        27.00000      1873.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -198.47666  -211.22658    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -202.24464  -211.22658    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -199.69439  -211.22658    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -190.83233  -211.22658    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -203.03568  -211.22658    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -200.48543  -211.22658    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -191.62338  -211.22658    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -203.22382  -211.22658    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -200.67357  -211.22658    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -191.81151  -211.22658   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -200.26648  -211.22658   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -197.71623  -211.22658   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -188.85417  -211.22658   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -199.71940  -211.22658   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -205.45819  -211.22658   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -204.07759  -211.22658   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -204.60495  -211.22658   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -204.73037  -211.22658   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -204.01190  -211.22658   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -203.73832  -211.22658   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -205.47837  -211.22658   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -204.15856  -211.22658   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -205.01512  -211.22658   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -205.77475  -211.22658   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -205.87342  -211.22658   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -204.59833  -211.22658   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -204.75465  -211.22658   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -201.20983  -211.22658   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -205.01342  -211.22658   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -199.12003  -211.22658   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -200.44413  -211.22658   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -205.57589  -211.22658   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -204.22880  -211.22658   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -205.22462  -211.22658   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -203.80005  -211.22658   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -207.96722  -211.22658   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -206.80503  -211.22658   37
  Found two species comparison        sp          neph     1.50000     6.00000  -195.10323  -211.22658   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -205.74549  -211.22658   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -203.19524  -211.22658   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -194.33319  -211.22658   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -205.88047  -211.22658   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -202.56632  -211.22658   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -203.22837  -211.22658   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -205.79425  -211.22658   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -205.12071  -211.22658   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -206.98992  -211.22658   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -206.40882  -211.22658   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -204.56135  -211.22658   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -200.55792  -211.22658   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -203.04686  -211.22658   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -193.20013  -211.22658   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -200.01607  -211.22658   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -191.15401  -211.22658   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -200.67812  -211.22658   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -191.81607  -211.22658   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -203.24400  -211.22658   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -194.38195  -211.22658   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -202.57046  -211.22658   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -193.70840  -211.22658   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -204.43967  -211.22658   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -203.85857  -211.22658   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -203.28622  -211.22658   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -198.00767  -211.22658   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -195.57761  -211.22658   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -194.99652  -211.22658   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -198.85519  -211.22658   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -189.14561  -211.22658   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -204.49183  -211.22658   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -206.16812  -211.22658   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -206.53654  -211.22658   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -203.98629  -211.22658   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -195.12423  -211.22658   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -206.58362  -211.22658   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -203.35736  -211.22658   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -204.01941  -211.22658   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -206.58529  -211.22658   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -205.91175  -211.22658   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -207.78096  -211.22658   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -207.19987  -211.22658   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -205.35239  -211.22658   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -201.34896  -211.22658   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -203.75001  -211.22658   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -193.90328  -211.22658   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -200.80711  -211.22658   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -191.94506  -211.22658   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -201.46916  -211.22658   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -192.60711  -211.22658   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -204.03505  -211.22658   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -195.17299  -211.22658   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -203.36150  -211.22658   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -194.49944  -211.22658   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -205.23071  -211.22658   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -204.64962  -211.22658   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -204.07726  -211.22658   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -198.79871  -211.22658   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -196.36866  -211.22658   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -195.78756  -211.22658   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -199.64624  -211.22658   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -189.93666  -211.22658  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -205.01920  -211.22658  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -206.56364  -211.22658  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -206.72467  -211.22658  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -204.17442  -211.22658  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -195.31237  -211.22658  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -206.75085  -211.22658  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -203.54550  -211.22658  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -204.20755  -211.22658  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -206.77343  -211.22658  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -206.09989  -211.22658  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -207.96910  -211.22658  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -207.38800  -211.22658  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -205.54052  -211.22658  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -201.53710  -211.22658  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -203.91724  -211.22658  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -194.07051  -211.22658  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -200.99525  -211.22658  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -192.13319  -211.22658  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -201.65730  -211.22658  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -192.79524  -211.22658  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -204.22318  -211.22658  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -195.36112  -211.22658  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -203.54964  -211.22658  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -194.68758  -211.22658  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -205.41885  -211.22658  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -204.83775  -211.22658  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -204.26540  -211.22658  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -198.98685  -211.22658  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -196.55679  -211.22658  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -195.97570  -211.22658  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -199.83437  -211.22658  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -190.12479  -211.22658  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -205.14462  -211.22658  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -206.65771  -211.22658  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -204.91372  -211.22658  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -202.36347  -211.22658  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -193.50141  -211.22658  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -204.63327  -211.22658  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -206.82117  -211.22658  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -202.92073  -211.22658  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -204.36657  -211.22658  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -201.81632  -211.22658  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -192.95426  -211.22658  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -204.35969  -211.22658  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -206.63879  -211.22658  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -207.19081  -211.22658  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -204.64056  -211.22658  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -195.77851  -211.22658  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -206.72111  -211.22658  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -208.95905  -211.22658  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -205.20704  -211.22658  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -202.65679  -211.22658  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -193.79473  -211.22658  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -204.77993  -211.22658  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -206.91895  -211.22658  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -207.88467  -211.22658  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -204.36991  -211.22658  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -195.50785  -211.22658  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -205.63649  -211.22658  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -207.48999  -211.22658  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -207.71564  -211.22658  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -206.08659  -211.22658  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -207.23689  -211.22658  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -206.76894  -211.22658  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -208.73696  -211.22658  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -201.05736  -211.22658  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -202.38146  -211.22658  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -207.51323  -211.22658  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -206.16614  -211.22658  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -207.33916  -211.22658  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -204.49002  -211.22658  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -209.20903  -211.22658  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -208.04685  -211.22658  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -196.34504  -211.22658  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -206.01548  -211.22658  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -200.10744  -211.22658  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -206.37051  -211.22658  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -207.74950  -211.22658  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -203.53634  -211.22658  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -194.67429  -211.22658  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -205.21970  -211.22658  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -207.21213  -211.22658  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -204.17659  -211.22658  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -205.74884  -211.22658  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -208.17024  -211.22658  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -193.54212  -211.22658  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -202.20402  -211.22658  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -206.20089  -211.22658  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -206.07862  -211.22658  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -208.44094  -211.22658  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -198.50711  -211.22658  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -189.64506  -211.22658  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -200.36276  -211.22658  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -205.77987  -211.22658  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -199.83121  -211.22658  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -190.96916  -211.22658  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -201.68687  -211.22658  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -206.44193  -211.22658  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -204.96298  -211.22658  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -196.10092  -211.22658  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -206.81863  -211.22658  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -209.00781  -211.22658  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -203.61589  -211.22658  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -194.75383  -211.22658  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -205.47154  -211.22658  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -208.33426  -211.22658  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -206.62374  -211.22658  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -195.92686  -211.22658  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -205.84599  -211.22658  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -207.62965  -211.22658  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -201.93977  -211.22658  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -206.65879  -211.22658  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -205.49660  -211.22658  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -193.79479  -211.22658  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -194.91183  -211.22658  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -204.42142  -211.22658  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -206.67994  -211.22658  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -197.79673  -211.22658  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -196.63454  -211.22658  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -184.93273  -211.22658  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -205.04741  -211.22658  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -210.99284  -211.22658  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -208.04777  -211.22658  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -196.34596  -211.22658  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -210.20347  -211.22658  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -211.22658  -211.22658  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -203.77147  -211.22658  227
 329 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -196.70347        30.00000      1873.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000  -182.47775  -196.70347    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000  -186.70976  -196.70347    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000  -184.25618  -196.70347    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000  -175.56746  -196.70347    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -187.66201  -196.70347    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000  -185.20843  -196.70347    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000  -176.51971  -196.70347    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -187.92551  -196.70347    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000  -185.47193  -196.70347    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000  -176.78321  -196.70347   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000  -184.69131  -196.70347   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000  -182.23773  -196.70347   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000  -173.54901  -196.70347   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000  -184.23073  -196.70347   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -190.41839  -196.70347   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -188.72909  -196.70347   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -189.36392  -196.70347   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -189.53959  -196.70347   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -188.59922  -196.70347   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -188.31811  -196.70347   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -189.79895  -196.70347   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -188.77515  -196.70347   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -189.90288  -196.70347   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -190.56009  -196.70347   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -190.62148  -196.70347   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -189.34315  -196.70347   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -189.57866  -196.70347   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000  -186.10317  -196.70347   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -189.72085  -196.70347   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000  -183.32376  -196.70347   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000  -184.68021  -196.70347   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -190.58834  -196.70347   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -189.30162  -196.70347   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -190.24952  -196.70347   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -188.89133  -196.70347   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -192.97768  -196.70347   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -191.83951  -196.70347   37
  Found two species comparison        sp          neph     1.50000     6.00000  -178.65409  -196.70347   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -190.37036  -196.70347   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -187.91678  -196.70347   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -179.22806  -196.70347   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -190.72973  -196.70347   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -187.13276  -196.70347   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -187.81099  -196.70347   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -190.76505  -196.70347   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -190.12170  -196.70347   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -191.95973  -196.70347   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -191.39064  -196.70347   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -189.28226  -196.70347   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000  -184.79793  -196.70347   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -188.00353  -196.70347   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -178.34940  -196.70347   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -184.67918  -196.70347   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -175.99047  -196.70347   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -185.35741  -196.70347   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -176.66869  -196.70347   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -188.31147  -196.70347   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000  -179.62276  -196.70347   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -187.66812  -196.70347   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -178.97940  -196.70347   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -189.50615  -196.70347   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -188.93706  -196.70347   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -188.05547  -196.70347   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -182.34435  -196.70347   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -180.81743  -196.70347   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -180.24834  -196.70347   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -183.71111  -196.70347   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -173.65563  -196.70347   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -189.31341  -196.70347   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -191.13657  -196.70347   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -191.32261  -196.70347   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -188.86903  -196.70347   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -180.18031  -196.70347   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -191.57617  -196.70347   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -188.08501  -196.70347   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -188.76324  -196.70347   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -191.71731  -196.70347   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -191.07395  -196.70347   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -192.91198  -196.70347   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -192.34289  -196.70347   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -190.23451  -196.70347   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -185.75018  -196.70347   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -188.84997  -196.70347   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -179.19584  -196.70347   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -185.63144  -196.70347   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -176.94272  -196.70347   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -186.30966  -196.70347   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -177.62095  -196.70347   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -189.26373  -196.70347   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -180.57501  -196.70347   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -188.62037  -196.70347   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -179.93165  -196.70347   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -190.45840  -196.70347   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -189.88931  -196.70347   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -189.00772  -196.70347   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -183.29660  -196.70347   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -181.76968  -196.70347   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -181.20059  -196.70347   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -184.66336  -196.70347   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -174.60788  -196.70347  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -189.94825  -196.70347  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -191.61270  -196.70347  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -191.58611  -196.70347  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -189.13253  -196.70347  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000  -180.44381  -196.70347  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -191.81040  -196.70347  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -188.34852  -196.70347  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -189.02675  -196.70347  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -191.98081  -196.70347  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -191.33745  -196.70347  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -193.17548  -196.70347  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -192.60639  -196.70347  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -190.49801  -196.70347  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000  -186.01368  -196.70347  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -189.08420  -196.70347  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333  -179.43006  -196.70347  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -185.89494  -196.70347  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000  -177.20622  -196.70347  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -186.57317  -196.70347  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000  -177.88445  -196.70347  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -189.52723  -196.70347  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000  -180.83851  -196.70347  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -188.88387  -196.70347  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000  -180.19515  -196.70347  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -190.72190  -196.70347  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -190.15281  -196.70347  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -189.27122  -196.70347  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000  -183.56010  -196.70347  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -182.03318  -196.70347  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -181.46409  -196.70347  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000  -184.92686  -196.70347  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000  -174.87138  -196.70347  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -190.12391  -196.70347  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -191.74445  -196.70347  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -189.57570  -196.70347  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -187.12212  -196.70347  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000  -178.43340  -196.70347  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -189.47571  -196.70347  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -191.85249  -196.70347  139
  Found two species comparison        mgts        anao     6.00000     3.00000  -187.53967  -196.70347  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -189.01347  -196.70347  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000  -186.55989  -196.70347  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000  -177.87117  -196.70347  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -189.19460  -196.70347  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -191.66508  -196.70347  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -191.93514  -196.70347  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -189.48156  -196.70347  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000  -180.79284  -196.70347  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -191.55193  -196.70347  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -194.07899  -196.70347  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -189.92755  -196.70347  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -187.47397  -196.70347  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000  -178.78526  -196.70347  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -189.65164  -196.70347  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -191.96977  -196.70347  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -193.14752  -196.70347  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -189.72943  -196.70347  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000  -181.04071  -196.70347  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -190.77936  -196.70347  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -192.72159  -196.70347  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -192.62064  -196.70347  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -191.06356  -196.70347  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -192.36123  -196.70347  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -191.96248  -196.70347  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -194.02628  -196.70347  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000  -185.68484  -196.70347  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000  -187.04130  -196.70347  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -192.94942  -196.70347  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -191.66271  -196.70347  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -192.87631  -196.70347  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -190.15991  -196.70347  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -194.64324  -196.70347  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -193.50507  -196.70347  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000  -180.31965  -196.70347  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -190.98492  -196.70347  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000  -185.19244  -196.70347  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -191.32267  -196.70347  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -192.83221  -196.70347  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -188.60998  -196.70347  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000  -179.92126  -196.70347  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -190.21964  -196.70347  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -192.34844  -196.70347  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -189.41693  -196.70347  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -190.98104  -196.70347  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -193.48104  -196.70347  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000  -178.99047  -196.70347  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -187.50556  -196.70347  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -191.55022  -196.70347  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -191.22340  -196.70347  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -193.70770  -196.70347  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -183.23126  -196.70347  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -174.54254  -196.70347  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000  -185.07674  -196.70347  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -190.84139  -196.70347  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -184.58772  -196.70347  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -175.89900  -196.70347  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000  -186.43319  -196.70347  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -191.51962  -196.70347  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -190.49584  -196.70347  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -181.80712  -196.70347  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -192.34132  -196.70347  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -194.47368  -196.70347  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -189.20913  -196.70347  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000  -180.52041  -196.70347  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -191.05460  -196.70347  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -193.83032  -196.70347  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -192.25756  -196.70347  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -181.73401  -196.70347  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -191.12601  -196.70347  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -192.95269  -196.70347  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -187.70633  -196.70347  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -192.18966  -196.70347  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -191.05149  -196.70347  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000  -177.86607  -196.70347  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -180.85172  -196.70347  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -189.76781  -196.70347  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -192.04722  -196.70347  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -183.50095  -196.70347  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -182.36277  -196.70347  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000  -169.17735  -196.70347  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -189.98383  -196.70347  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -196.51354  -196.70347  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -193.59249  -196.70347  223
  Found two species comparison        mgcf        neph     6.00000     6.00000  -180.40707  -196.70347  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -195.66835  -196.70347  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -196.70347  -196.70347  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -188.50656  -196.70347  227
 330 mgcfnacf           7.00   3.00   0.00   0.00  13.00   7.00  40.00
Number of non-zero components,phases,Gapp    5    1      -218.83333        24.00000      1873.00000
Found three species comparison        ab          sp          anao     2.33333     0.75000     2.33333  -204.82684  -218.83333    1
 Found four species comparison        ab          fo          co          anao     1.83333     1.50000     3.00000     2.58333  -206.78566  -218.83333    2
 Found four species comparison        ab          fo          alpv        anao     1.83333     1.50000     3.00000     2.58333  -205.19793  -218.83333    3
 Found four species comparison        ab          fo          appv        anao     1.83333     1.50000     3.00000     2.58333  -199.77754  -218.83333    4
 Found four species comparison        ab          fo          anao        ky       0.83333     1.50000     3.08333     3.00000  -209.21825  -218.83333    5
 Found four species comparison        ab          mgwa        co          anao     1.83333     1.50000     3.00000     2.58333  -207.15773  -218.83333    6
 Found four species comparison        ab          mgwa        alpv        anao     1.83333     1.50000     3.00000     2.58333  -205.57000  -218.83333    7
 Found four species comparison        ab          mgwa        appv        anao     1.83333     1.50000     3.00000     2.58333  -200.14961  -218.83333    8
 Found four species comparison        ab          mgwa        anao        ky       0.83333     1.50000     3.08333     3.00000  -209.59032  -218.83333    9
 Found four species comparison        ab          mgri        co          anao     1.83333     1.50000     3.00000     2.58333  -207.22270  -218.83333   10
 Found four species comparison        ab          mgri        alpv        anao     1.83333     1.50000     3.00000     2.58333  -205.63497  -218.83333   11
 Found four species comparison        ab          mgri        appv        anao     1.83333     1.50000     3.00000     2.58333  -200.21458  -218.83333   12
 Found four species comparison        ab          mgri        anao        ky       0.83333     1.50000     3.08333     3.00000  -209.65529  -218.83333   13
 Found four species comparison        ab          en          co          anao     1.33333     1.50000     3.00000     2.83333  -208.23984  -218.83333   14
 Found four species comparison        ab          en          alpv        anao     1.33333     1.50000     3.00000     2.83333  -206.65211  -218.83333   15
 Found four species comparison        ab          en          appv        anao     1.33333     1.50000     3.00000     2.83333  -201.23172  -218.83333   16
 Found four species comparison        ab          en          anao        ky       0.33333     1.50000     3.33333     3.00000  -210.67243  -218.83333   17
Found three species comparison        ab          mgts        anao     1.33333     3.00000     2.83333  -207.07990  -218.83333   18
 Found four species comparison        ab          cen         co          anao     1.33333     1.50000     3.00000     2.83333  -207.92747  -218.83333   19
 Found four species comparison        ab          cen         alpv        anao     1.33333     1.50000     3.00000     2.83333  -206.33974  -218.83333   20
 Found four species comparison        ab          cen         appv        anao     1.33333     1.50000     3.00000     2.83333  -200.91935  -218.83333   21
 Found four species comparison        ab          cen         anao        ky       0.33333     1.50000     3.33333     3.00000  -210.36006  -218.83333   22
 Found four species comparison        ab          mgc2        co          anao     1.33333     1.50000     3.00000     2.83333  -208.38214  -218.83333   23
 Found four species comparison        ab          mgc2        alpv        anao     1.33333     1.50000     3.00000     2.83333  -206.79440  -218.83333   24
 Found four species comparison        ab          mgc2        appv        anao     1.33333     1.50000     3.00000     2.83333  -201.37402  -218.83333   25
 Found four species comparison        ab          mgc2        anao        ky       0.33333     1.50000     3.33333     3.00000  -210.81473  -218.83333   26
 Found four species comparison        ab          mgil        co          anao     1.33333     3.00000     3.00000     2.83333  -209.64975  -218.83333   27
 Found four species comparison        ab          mgil        alpv        anao     1.33333     3.00000     3.00000     2.83333  -207.48331  -218.83333   28
 Found four species comparison        ab          mgil        appv        anao     1.33333     3.00000     3.00000     2.83333  -202.06292  -218.83333   29
 Found four species comparison        ab          mgil        anao        ky       0.33333     3.00000     3.33333     3.00000  -211.50363  -218.83333   30
 Found four species comparison        ab          co          py          anao     1.33333     2.00000     1.00000     2.83333  -209.77463  -218.83333   31
 Found four species comparison        ab          co          mgmj        anao     1.33333     3.00000     0.75000     2.83333  -208.75126  -218.83333   32
 Found four species comparison        ab          co          mgpv        anao     1.33333     3.00000     3.00000     2.83333  -209.15492  -218.83333   33
 Found four species comparison        ab          co          mppv        anao     1.33333     3.00000     3.00000     2.83333  -207.36358  -218.83333   34
 Found four species comparison        ab          co          pe          anao     2.33333     3.00000     0.75000     2.33333  -205.86336  -218.83333   35
 Found four species comparison        ab          py          alpv        anao     1.33333     1.00000     2.00000     2.83333  -208.71614  -218.83333   36
 Found four species comparison        ab          py          appv        anao     1.33333     1.00000     2.00000     2.83333  -205.10255  -218.83333   37
 Found four species comparison        ab          py          anao        ky       0.66667     1.00000     3.16667     2.00000  -211.39635  -218.83333   38
 Found four species comparison        ab          mgmj        alpv        anao     1.33333     0.75000     3.00000     2.83333  -207.16353  -218.83333   39
 Found four species comparison        ab          mgmj        appv        anao     1.33333     0.75000     3.00000     2.83333  -201.74315  -218.83333   40
 Found four species comparison        ab          mgmj        anao        ky       0.33333     0.75000     3.33333     3.00000  -211.18385  -218.83333   41
 Found four species comparison        ab          mgpv        alpv        anao     1.33333     3.00000     3.00000     2.83333  -208.66809  -218.83333   42
 Found four species comparison        ab          mgpv        appv        anao     1.33333     3.00000     3.00000     2.83333  -202.14680  -218.83333   43
 Found four species comparison        ab          mgpv        anao        ky       0.33333     3.00000     3.33333     3.00000  -211.58751  -218.83333   44
 Found four species comparison        ab          alpv        mppv        anao     1.33333     3.00000     3.00000     2.83333  -205.77585  -218.83333   45
 Found four species comparison        ab          alpv        pe          anao     2.33333     3.00000     0.75000     2.33333  -204.27563  -218.83333   46
 Found four species comparison        ab          mppv        appv        anao     1.33333     3.00000     3.00000     2.83333  -201.45593  -218.83333   47
 Found four species comparison        ab          mppv        anao        ky       0.33333     3.00000     3.33333     3.00000  -209.79617  -218.83333   48
 Found four species comparison        ab          appv        pe          anao     2.33333     3.00000     0.75000     2.33333  -198.85524  -218.83333   49
 Found four species comparison        ab          pe          anao        ky       1.33333     0.75000     2.83333     3.00000  -208.36600  -218.83333   50
Found three species comparison        ab          anao        mgcf     2.33333     2.33333     3.00000  -205.26322  -218.83333   51
Found three species comparison        ab          anao        mnal     1.83333     1.83333     1.50000  -208.40630  -218.83333   52
Found three species comparison        sp          jd          anao     0.75000     3.50000     1.75000  -214.06631  -218.83333   53
 Found four species comparison        sp          co          namj        anao     0.40000     2.80000     1.40000     2.10000  -213.81020  -218.83333   54
 Found four species comparison        sp          namj        alpv        anao     0.40000     1.40000     2.80000     2.10000  -212.32832  -218.83333   55
 Found four species comparison        sp          namj        appv        anao     0.40000     1.40000     2.80000     2.10000  -207.26929  -218.83333   56
 Found four species comparison        sp          namj        anao        ky       0.50000     1.00000     2.50000     2.00000  -212.86525  -218.83333   57
Found three species comparison        sp          qtz         anao     0.75000     7.00000     3.50000  -205.38701  -218.83333   58
Found three species comparison        sp          coes        anao     0.75000     7.00000     3.50000  -207.16904  -218.83333   59
Found three species comparison        sp          st          anao     0.75000     7.00000     3.50000  -213.20849  -218.83333   60
Found three species comparison        sp          apbo        anao     0.75000     7.00000     3.50000  -211.23559  -218.83333   61
  Found two species comparison        sp          nacf     0.75000     7.00000  -216.55108  -218.83333   62
  Found two species comparison        sp          nnal     0.75000     2.33333  -214.89313  -218.83333   63
  Found two species comparison        sp          neph     0.75000     7.00000  -200.79634  -218.83333   64
 Found four species comparison        fo          jd          co          anao     1.50000     2.75000     3.00000     2.12500  -214.04524  -218.83333   65
 Found four species comparison        fo          jd          alpv        anao     1.50000     2.75000     3.00000     2.12500  -212.45751  -218.83333   66
 Found four species comparison        fo          jd          appv        anao     1.50000     2.75000     3.00000     2.12500  -207.03712  -218.83333   67
 Found four species comparison        fo          jd          anao        ky       1.50000     1.25000     2.87500     3.00000  -212.51806  -218.83333   68
 Found four species comparison        fo          co          namj        anao     0.88889     4.22222     1.22222     2.27778  -213.83024  -218.83333   69
 Found four species comparison        fo          co          qtz         anao     1.50000     3.00000     5.50000     3.50000  -207.22580  -218.83333   70
 Found four species comparison        fo          co          coes        anao     1.50000     3.00000     5.50000     3.50000  -208.62596  -218.83333   71
 Found four species comparison        fo          co          st          anao     1.50000     3.00000     5.50000     3.50000  -213.37125  -218.83333   72
 Found four species comparison        fo          co          apbo        anao     1.50000     3.00000     5.50000     3.50000  -211.82110  -218.83333   73
 Found four species comparison        fo          co          anao        nacf     1.50000     3.00000     0.75000     5.50000  -215.99757  -218.83333   74
 Found four species comparison        fo          co          anao        nnal     1.50000     3.00000     0.75000     1.83333  -214.69489  -218.83333   75
 Found four species comparison        fo          co          anao        neph     1.50000     3.00000     0.75000     5.50000  -203.61884  -218.83333   76
 Found four species comparison        fo          namj        alpv        anao     0.88889     1.22222     4.22222     2.27778  -211.59566  -218.83333   77
 Found four species comparison        fo          namj        appv        anao     0.88889     1.22222     4.22222     2.27778  -203.96696  -218.83333   78
 Found four species comparison        fo          namj        anao        ky       1.27273     0.45455     3.04545     3.45455  -212.20671  -218.83333   79
 Found four species comparison        fo          qtz         alpv        anao     1.50000     5.50000     3.00000     3.50000  -205.63807  -218.83333   80
 Found four species comparison        fo          qtz         appv        anao     1.50000     5.50000     3.00000     3.50000  -200.21768  -218.83333   81
 Found four species comparison        fo          qtz         anao        ky       1.50000     2.50000     3.50000     3.00000  -209.41831  -218.83333   82
 Found four species comparison        fo          coes        alpv        anao     1.50000     5.50000     3.00000     3.50000  -207.03823  -218.83333   83
 Found four species comparison        fo          coes        appv        anao     1.50000     5.50000     3.00000     3.50000  -201.61784  -218.83333   84
 Found four species comparison        fo          coes        anao        ky       1.50000     2.50000     3.50000     3.00000  -210.05475  -218.83333   85
 Found four species comparison        fo          st          alpv        anao     1.50000     5.50000     3.00000     3.50000  -211.78352  -218.83333   86
 Found four species comparison        fo          st          appv        anao     1.50000     5.50000     3.00000     3.50000  -206.36313  -218.83333   87
 Found four species comparison        fo          st          anao        ky       1.50000     2.50000     3.50000     3.00000  -212.21170  -218.83333   88
 Found four species comparison        fo          apbo        alpv        anao     1.50000     5.50000     3.00000     3.50000  -210.23337  -218.83333   89
 Found four species comparison        fo          apbo        appv        anao     1.50000     5.50000     3.00000     3.50000  -204.81298  -218.83333   90
 Found four species comparison        fo          apbo        anao        ky       1.50000     2.50000     3.50000     3.00000  -211.50709  -218.83333   91
 Found four species comparison        fo          alpv        anao        nacf     1.50000     3.00000     0.75000     5.50000  -214.40984  -218.83333   92
 Found four species comparison        fo          alpv        anao        nnal     1.50000     3.00000     0.75000     1.83333  -213.10716  -218.83333   93
 Found four species comparison        fo          alpv        anao        neph     1.50000     3.00000     0.75000     5.50000  -202.03111  -218.83333   94
 Found four species comparison        fo          appv        anao        nacf     1.50000     3.00000     0.75000     5.50000  -208.98945  -218.83333   95
 Found four species comparison        fo          appv        anao        nnal     1.50000     3.00000     0.75000     1.83333  -207.68677  -218.83333   96
 Found four species comparison        fo          appv        anao        neph     1.50000     3.00000     0.75000     5.50000  -196.61072  -218.83333   97
 Found four species comparison        fo          anao        nacf        ky       1.50000     2.25000     2.50000     3.00000  -213.40548  -218.83333   98
 Found four species comparison        fo          anao        nnal        ky       1.50000     2.25000     0.83333     3.00000  -212.81335  -218.83333   99
 Found four species comparison        fo          anao        ky          neph     1.50000     2.25000     3.00000     2.50000  -207.77879  -218.83333  100
 Found four species comparison        mgwa        jd          co          anao     1.50000     2.75000     3.00000     2.12500  -214.41731  -218.83333  101
 Found four species comparison        mgwa        jd          alpv        anao     1.50000     2.75000     3.00000     2.12500  -212.82958  -218.83333  102
 Found four species comparison        mgwa        jd          appv        anao     1.50000     2.75000     3.00000     2.12500  -207.40919  -218.83333  103
 Found four species comparison        mgwa        jd          anao        ky       1.50000     1.25000     2.87500     3.00000  -212.89013  -218.83333  104
 Found four species comparison        mgwa        co          namj        anao     0.88889     4.22222     1.22222     2.27778  -214.05073  -218.83333  105
 Found four species comparison        mgwa        co          qtz         anao     1.50000     3.00000     5.50000     3.50000  -207.59787  -218.83333  106
 Found four species comparison        mgwa        co          coes        anao     1.50000     3.00000     5.50000     3.50000  -208.99803  -218.83333  107
 Found four species comparison        mgwa        co          st          anao     1.50000     3.00000     5.50000     3.50000  -213.74332  -218.83333  108
 Found four species comparison        mgwa        co          apbo        anao     1.50000     3.00000     5.50000     3.50000  -212.19317  -218.83333  109
 Found four species comparison        mgwa        co          anao        nacf     1.50000     3.00000     0.75000     5.50000  -216.36964  -218.83333  110
 Found four species comparison        mgwa        co          anao        nnal     1.50000     3.00000     0.75000     1.83333  -215.06696  -218.83333  111
 Found four species comparison        mgwa        co          anao        neph     1.50000     3.00000     0.75000     5.50000  -203.99091  -218.83333  112
 Found four species comparison        mgwa        namj        alpv        anao     0.88889     1.22222     4.22222     2.27778  -211.81614  -218.83333  113
 Found four species comparison        mgwa        namj        appv        anao     0.88889     1.22222     4.22222     2.27778  -204.18745  -218.83333  114
 Found four species comparison        mgwa        namj        anao        ky       1.27273     0.45455     3.04545     3.45455  -212.52241  -218.83333  115
 Found four species comparison        mgwa        qtz         alpv        anao     1.50000     5.50000     3.00000     3.50000  -206.01014  -218.83333  116
 Found four species comparison        mgwa        qtz         appv        anao     1.50000     5.50000     3.00000     3.50000  -200.58975  -218.83333  117
 Found four species comparison        mgwa        qtz         anao        ky       1.50000     2.50000     3.50000     3.00000  -209.79038  -218.83333  118
 Found four species comparison        mgwa        coes        alpv        anao     1.50000     5.50000     3.00000     3.50000  -207.41030  -218.83333  119
 Found four species comparison        mgwa        coes        appv        anao     1.50000     5.50000     3.00000     3.50000  -201.98991  -218.83333  120
 Found four species comparison        mgwa        coes        anao        ky       1.50000     2.50000     3.50000     3.00000  -210.42682  -218.83333  121
 Found four species comparison        mgwa        st          alpv        anao     1.50000     5.50000     3.00000     3.50000  -212.15558  -218.83333  122
 Found four species comparison        mgwa        st          appv        anao     1.50000     5.50000     3.00000     3.50000  -206.73520  -218.83333  123
 Found four species comparison        mgwa        st          anao        ky       1.50000     2.50000     3.50000     3.00000  -212.58377  -218.83333  124
 Found four species comparison        mgwa        apbo        alpv        anao     1.50000     5.50000     3.00000     3.50000  -210.60544  -218.83333  125
 Found four species comparison        mgwa        apbo        appv        anao     1.50000     5.50000     3.00000     3.50000  -205.18505  -218.83333  126
 Found four species comparison        mgwa        apbo        anao        ky       1.50000     2.50000     3.50000     3.00000  -211.87916  -218.83333  127
 Found four species comparison        mgwa        alpv        anao        nacf     1.50000     3.00000     0.75000     5.50000  -214.78190  -218.83333  128
 Found four species comparison        mgwa        alpv        anao        nnal     1.50000     3.00000     0.75000     1.83333  -213.47923  -218.83333  129
 Found four species comparison        mgwa        alpv        anao        neph     1.50000     3.00000     0.75000     5.50000  -202.40318  -218.83333  130
 Found four species comparison        mgwa        appv        anao        nacf     1.50000     3.00000     0.75000     5.50000  -209.36152  -218.83333  131
 Found four species comparison        mgwa        appv        anao        nnal     1.50000     3.00000     0.75000     1.83333  -208.05884  -218.83333  132
 Found four species comparison        mgwa        appv        anao        neph     1.50000     3.00000     0.75000     5.50000  -196.98279  -218.83333  133
 Found four species comparison        mgwa        anao        nacf        ky       1.50000     2.25000     2.50000     3.00000  -213.77755  -218.83333  134
 Found four species comparison        mgwa        anao        nnal        ky       1.50000     2.25000     0.83333     3.00000  -213.18542  -218.83333  135
 Found four species comparison        mgwa        anao        ky          neph     1.50000     2.25000     3.00000     2.50000  -208.15086  -218.83333  136
 Found four species comparison        mgri        jd          co          anao     1.50000     2.75000     3.00000     2.12500  -214.48228  -218.83333  137
 Found four species comparison        mgri        jd          alpv        anao     1.50000     2.75000     3.00000     2.12500  -212.89455  -218.83333  138
 Found four species comparison        mgri        jd          appv        anao     1.50000     2.75000     3.00000     2.12500  -207.47416  -218.83333  139
 Found four species comparison        mgri        jd          anao        ky       1.50000     1.25000     2.87500     3.00000  -212.95510  -218.83333  140
 Found four species comparison        mgri        co          namj        anao     0.88889     4.22222     1.22222     2.27778  -214.08923  -218.83333  141
 Found four species comparison        mgri        co          qtz         anao     1.50000     3.00000     5.50000     3.50000  -207.66283  -218.83333  142
 Found four species comparison        mgri        co          coes        anao     1.50000     3.00000     5.50000     3.50000  -209.06300  -218.83333  143
 Found four species comparison        mgri        co          st          anao     1.50000     3.00000     5.50000     3.50000  -213.80828  -218.83333  144
 Found four species comparison        mgri        co          apbo        anao     1.50000     3.00000     5.50000     3.50000  -212.25814  -218.83333  145
 Found four species comparison        mgri        co          anao        nacf     1.50000     3.00000     0.75000     5.50000  -216.43460  -218.83333  146
 Found four species comparison        mgri        co          anao        nnal     1.50000     3.00000     0.75000     1.83333  -215.13193  -218.83333  147
 Found four species comparison        mgri        co          anao        neph     1.50000     3.00000     0.75000     5.50000  -204.05588  -218.83333  148
 Found four species comparison        mgri        namj        alpv        anao     0.88889     1.22222     4.22222     2.27778  -211.85464  -218.83333  149
 Found four species comparison        mgri        namj        appv        anao     0.88889     1.22222     4.22222     2.27778  -204.22595  -218.83333  150
 Found four species comparison        mgri        namj        anao        ky       1.27273     0.45455     3.04545     3.45455  -212.57753  -218.83333  151
 Found four species comparison        mgri        qtz         alpv        anao     1.50000     5.50000     3.00000     3.50000  -206.07510  -218.83333  152
 Found four species comparison        mgri        qtz         appv        anao     1.50000     5.50000     3.00000     3.50000  -200.65472  -218.83333  153
 Found four species comparison        mgri        qtz         anao        ky       1.50000     2.50000     3.50000     3.00000  -209.85535  -218.83333  154
 Found four species comparison        mgri        coes        alpv        anao     1.50000     5.50000     3.00000     3.50000  -207.47527  -218.83333  155
 Found four species comparison        mgri        coes        appv        anao     1.50000     5.50000     3.00000     3.50000  -202.05488  -218.83333  156
 Found four species comparison        mgri        coes        anao        ky       1.50000     2.50000     3.50000     3.00000  -210.49179  -218.83333  157
 Found four species comparison        mgri        st          alpv        anao     1.50000     5.50000     3.00000     3.50000  -212.22055  -218.83333  158
 Found four species comparison        mgri        st          appv        anao     1.50000     5.50000     3.00000     3.50000  -206.80016  -218.83333  159
 Found four species comparison        mgri        st          anao        ky       1.50000     2.50000     3.50000     3.00000  -212.64874  -218.83333  160
 Found four species comparison        mgri        apbo        alpv        anao     1.50000     5.50000     3.00000     3.50000  -210.67041  -218.83333  161
 Found four species comparison        mgri        apbo        appv        anao     1.50000     5.50000     3.00000     3.50000  -205.25002  -218.83333  162
 Found four species comparison        mgri        apbo        anao        ky       1.50000     2.50000     3.50000     3.00000  -211.94413  -218.83333  163
 Found four species comparison        mgri        alpv        anao        nacf     1.50000     3.00000     0.75000     5.50000  -214.84687  -218.83333  164
 Found four species comparison        mgri        alpv        anao        nnal     1.50000     3.00000     0.75000     1.83333  -213.54420  -218.83333  165
 Found four species comparison        mgri        alpv        anao        neph     1.50000     3.00000     0.75000     5.50000  -202.46815  -218.83333  166
 Found four species comparison        mgri        appv        anao        nacf     1.50000     3.00000     0.75000     5.50000  -209.42648  -218.83333  167
 Found four species comparison        mgri        appv        anao        nnal     1.50000     3.00000     0.75000     1.83333  -208.12381  -218.83333  168
 Found four species comparison        mgri        appv        anao        neph     1.50000     3.00000     0.75000     5.50000  -197.04776  -218.83333  169
 Found four species comparison        mgri        anao        nacf        ky       1.50000     2.25000     2.50000     3.00000  -213.84252  -218.83333  170
 Found four species comparison        mgri        anao        nnal        ky       1.50000     2.25000     0.83333     3.00000  -213.25039  -218.83333  171
 Found four species comparison        mgri        anao        ky          neph     1.50000     2.25000     3.00000     2.50000  -208.21583  -218.83333  172
 Found four species comparison        en          jd          co          anao     1.50000     2.00000     3.00000     2.50000  -213.51954  -218.83333  173
 Found four species comparison        en          jd          alpv        anao     1.50000     2.00000     3.00000     2.50000  -211.93181  -218.83333  174
 Found four species comparison        en          jd          appv        anao     1.50000     2.00000     3.00000     2.50000  -206.51142  -218.83333  175
 Found four species comparison        en          jd          anao        ky       1.50000     0.50000     3.25000     3.00000  -211.99235  -218.83333  176
 Found four species comparison        en          co          namj        anao     1.00000     4.00000     1.00000     2.50000  -213.51886  -218.83333  177
 Found four species comparison        en          co          qtz         anao     1.50000     3.00000     4.00000     3.50000  -208.55994  -218.83333  178
 Found four species comparison        en          co          coes        anao     1.50000     3.00000     4.00000     3.50000  -209.57824  -218.83333  179
 Found four species comparison        en          co          st          anao     1.50000     3.00000     4.00000     3.50000  -213.02936  -218.83333  180
 Found four species comparison        en          co          apbo        anao     1.50000     3.00000     4.00000     3.50000  -211.90198  -218.83333  181
 Found four species comparison        en          co          anao        nacf     1.50000     3.00000     1.50000     4.00000  -214.93941  -218.83333  182
 Found four species comparison        en          co          anao        nnal     1.50000     3.00000     1.50000     1.33333  -213.99201  -218.83333  183
 Found four species comparison        en          co          anao        neph     1.50000     3.00000     1.50000     4.00000  -205.93670  -218.83333  184
 Found four species comparison        en          namj        alpv        anao     1.00000     1.00000     4.00000     2.50000  -211.40189  -218.83333  185
 Found four species comparison        en          namj        appv        anao     1.00000     1.00000     4.00000     2.50000  -204.17470  -218.83333  186
 Found four species comparison        en          namj        anao        ky       1.40000     0.20000     3.30000     3.20000  -211.89041  -218.83333  187
 Found four species comparison        en          qtz         alpv        anao     1.50000     4.00000     3.00000     3.50000  -206.97221  -218.83333  188
 Found four species comparison        en          qtz         appv        anao     1.50000     4.00000     3.00000     3.50000  -201.55182  -218.83333  189
 Found four species comparison        en          qtz         anao        ky       1.50000     1.00000     3.50000     3.00000  -210.75245  -218.83333  190
 Found four species comparison        en          coes        alpv        anao     1.50000     4.00000     3.00000     3.50000  -207.99051  -218.83333  191
 Found four species comparison        en          coes        appv        anao     1.50000     4.00000     3.00000     3.50000  -202.57012  -218.83333  192
 Found four species comparison        en          coes        anao        ky       1.50000     1.00000     3.50000     3.00000  -211.00703  -218.83333  193
 Found four species comparison        en          st          alpv        anao     1.50000     4.00000     3.00000     3.50000  -211.44163  -218.83333  194
 Found four species comparison        en          st          appv        anao     1.50000     4.00000     3.00000     3.50000  -206.02124  -218.83333  195
 Found four species comparison        en          st          anao        ky       1.50000     1.00000     3.50000     3.00000  -211.86981  -218.83333  196
 Found four species comparison        en          apbo        alpv        anao     1.50000     4.00000     3.00000     3.50000  -210.31425  -218.83333  197
 Found four species comparison        en          apbo        appv        anao     1.50000     4.00000     3.00000     3.50000  -204.89386  -218.83333  198
 Found four species comparison        en          apbo        anao        ky       1.50000     1.00000     3.50000     3.00000  -211.58796  -218.83333  199
 Found four species comparison        en          alpv        anao        nacf     1.50000     3.00000     1.50000     4.00000  -213.35168  -218.83333  200
 Found four species comparison        en          alpv        anao        nnal     1.50000     3.00000     1.50000     1.33333  -212.40428  -218.83333  201
 Found four species comparison        en          alpv        anao        neph     1.50000     3.00000     1.50000     4.00000  -204.34897  -218.83333  202
 Found four species comparison        en          appv        anao        nacf     1.50000     3.00000     1.50000     4.00000  -207.93129  -218.83333  203
 Found four species comparison        en          appv        anao        nnal     1.50000     3.00000     1.50000     1.33333  -206.98389  -218.83333  204
 Found four species comparison        en          appv        anao        neph     1.50000     3.00000     1.50000     4.00000  -198.92858  -218.83333  205
 Found four species comparison        en          anao        nacf        ky       1.50000     3.00000     1.00000     3.00000  -212.34732  -218.83333  206
 Found four species comparison        en          anao        nnal        ky       1.50000     3.00000     0.33333     3.00000  -212.11047  -218.83333  207
 Found four species comparison        en          anao        ky          neph     1.50000     3.00000     3.00000     1.00000  -210.09664  -218.83333  208
Found three species comparison        mgts        jd          anao     3.00000     2.00000     2.50000  -212.35960  -218.83333  209
 Found four species comparison        mgts        co          namj        anao     2.00000     2.00000     1.00000     2.50000  -212.74557  -218.83333  210
 Found four species comparison        mgts        namj        alpv        anao     2.00000     1.00000     2.00000     2.50000  -211.68708  -218.83333  211
 Found four species comparison        mgts        namj        appv        anao     2.00000     1.00000     2.00000     2.50000  -208.07349  -218.83333  212
 Found four species comparison        mgts        namj        anao        ky       2.33333     0.66667     2.83333     1.33333  -211.93817  -218.83333  213
Found three species comparison        mgts        qtz         anao     3.00000     4.00000     3.50000  -207.40000  -218.83333  214
Found three species comparison        mgts        coes        anao     3.00000     4.00000     3.50000  -208.41830  -218.83333  215
Found three species comparison        mgts        st          anao     3.00000     4.00000     3.50000  -211.86942  -218.83333  216
Found three species comparison        mgts        apbo        anao     3.00000     4.00000     3.50000  -210.74205  -218.83333  217
Found three species comparison        mgts        anao        nacf     3.00000     1.50000     4.00000  -213.77947  -218.83333  218
Found three species comparison        mgts        anao        nnal     3.00000     1.50000     1.33333  -212.83207  -218.83333  219
Found three species comparison        mgts        anao        neph     3.00000     1.50000     4.00000  -204.77676  -218.83333  220
 Found four species comparison        cen         jd          co          anao     1.50000     2.00000     3.00000     2.50000  -213.70683  -218.83333  221
 Found four species comparison        cen         jd          alpv        anao     1.50000     2.00000     3.00000     2.50000  -212.11910  -218.83333  222
 Found four species comparison        cen         jd          appv        anao     1.50000     2.00000     3.00000     2.50000  -206.69871  -218.83333  223
 Found four species comparison        cen         jd          anao        ky       1.50000     0.50000     3.25000     3.00000  -211.93372  -218.83333  224
 Found four species comparison        cen         co          namj        anao     1.00000     4.00000     1.00000     2.50000  -213.31062  -218.83333  225
 Found four species comparison        cen         co          qtz         anao     1.50000     3.00000     4.00000     3.50000  -208.24757  -218.83333  226
 Found four species comparison        cen         co          coes        anao     1.50000     3.00000     4.00000     3.50000  -209.26587  -218.83333  227
 Found four species comparison        cen         co          st          anao     1.50000     3.00000     4.00000     3.50000  -212.71699  -218.83333  228
 Found four species comparison        cen         co          apbo        anao     1.50000     3.00000     4.00000     3.50000  -211.58961  -218.83333  229
 Found four species comparison        cen         co          anao        nacf     1.50000     3.00000     1.50000     4.00000  -214.62704  -218.83333  230
 Found four species comparison        cen         co          anao        nnal     1.50000     3.00000     1.50000     1.33333  -213.67964  -218.83333  231
 Found four species comparison        cen         co          anao        neph     1.50000     3.00000     1.50000     4.00000  -205.62433  -218.83333  232
 Found four species comparison        cen         namj        alpv        anao     1.00000     1.00000     4.00000     2.50000  -211.19364  -218.83333  233
 Found four species comparison        cen         namj        appv        anao     1.00000     1.00000     4.00000     2.50000  -203.96646  -218.83333  234
 Found four species comparison        cen         namj        anao        ky       1.40000     0.20000     3.30000     3.20000  -211.59886  -218.83333  235
 Found four species comparison        cen         qtz         alpv        anao     1.50000     4.00000     3.00000     3.50000  -206.65984  -218.83333  236
 Found four species comparison        cen         qtz         appv        anao     1.50000     4.00000     3.00000     3.50000  -201.23945  -218.83333  237
 Found four species comparison        cen         qtz         anao        ky       1.50000     1.00000     3.50000     3.00000  -210.44009  -218.83333  238
 Found four species comparison        cen         coes        alpv        anao     1.50000     4.00000     3.00000     3.50000  -207.67814  -218.83333  239
 Found four species comparison        cen         coes        appv        anao     1.50000     4.00000     3.00000     3.50000  -202.25775  -218.83333  240
 Found four species comparison        cen         coes        anao        ky       1.50000     1.00000     3.50000     3.00000  -210.69466  -218.83333  241
 Found four species comparison        cen         st          alpv        anao     1.50000     4.00000     3.00000     3.50000  -211.12926  -218.83333  242
 Found four species comparison        cen         st          appv        anao     1.50000     4.00000     3.00000     3.50000  -205.70887  -218.83333  243
 Found four species comparison        cen         st          anao        ky       1.50000     1.00000     3.50000     3.00000  -211.55744  -218.83333  244
 Found four species comparison        cen         apbo        alpv        anao     1.50000     4.00000     3.00000     3.50000  -210.00188  -218.83333  245
 Found four species comparison        cen         apbo        appv        anao     1.50000     4.00000     3.00000     3.50000  -204.58149  -218.83333  246
 Found four species comparison        cen         apbo        anao        ky       1.50000     1.00000     3.50000     3.00000  -211.27560  -218.83333  247
 Found four species comparison        cen         alpv        anao        nacf     1.50000     3.00000     1.50000     4.00000  -213.03931  -218.83333  248
 Found four species comparison        cen         alpv        anao        nnal     1.50000     3.00000     1.50000     1.33333  -212.09191  -218.83333  249
 Found four species comparison        cen         alpv        anao        neph     1.50000     3.00000     1.50000     4.00000  -204.03660  -218.83333  250
 Found four species comparison        cen         appv        anao        nacf     1.50000     3.00000     1.50000     4.00000  -207.61892  -218.83333  251
 Found four species comparison        cen         appv        anao        nnal     1.50000     3.00000     1.50000     1.33333  -206.67152  -218.83333  252
 Found four species comparison        cen         appv        anao        neph     1.50000     3.00000     1.50000     4.00000  -198.61621  -218.83333  253
 Found four species comparison        cen         anao        nacf        ky       1.50000     3.00000     1.00000     3.00000  -212.03495  -218.83333  254
 Found four species comparison        cen         anao        nnal        ky       1.50000     3.00000     0.33333     3.00000  -211.79810  -218.83333  255
 Found four species comparison        cen         anao        ky          neph     1.50000     3.00000     3.00000     1.00000  -209.78428  -218.83333  256
 Found four species comparison        jd          mgc2        co          anao     2.00000     1.50000     3.00000     2.50000  -213.66183  -218.83333  257
 Found four species comparison        jd          mgc2        alpv        anao     2.00000     1.50000     3.00000     2.50000  -212.07410  -218.83333  258
 Found four species comparison        jd          mgc2        appv        anao     2.00000     1.50000     3.00000     2.50000  -206.65371  -218.83333  259
 Found four species comparison        jd          mgc2        anao        ky       0.50000     1.50000     3.25000     3.00000  -212.13465  -218.83333  260
 Found four species comparison        jd          mgil        co          anao     2.00000     3.00000     3.00000     2.50000  -214.92945  -218.83333  261
 Found four species comparison        jd          mgil        alpv        anao     2.00000     3.00000     3.00000     2.50000  -212.76301  -218.83333  262
 Found four species comparison        jd          mgil        appv        anao     2.00000     3.00000     3.00000     2.50000  -207.34262  -218.83333  263
 Found four species comparison        jd          mgil        anao        ky       0.50000     3.00000     3.25000     3.00000  -212.82355  -218.83333  264
 Found four species comparison        jd          co          py          anao     2.00000     2.00000     1.00000     2.50000  -215.05432  -218.83333  265
 Found four species comparison        jd          co          mgmj        anao     2.00000     3.00000     0.75000     2.50000  -214.03096  -218.83333  266
 Found four species comparison        jd          co          mgpv        anao     2.00000     3.00000     3.00000     2.50000  -214.43462  -218.83333  267
 Found four species comparison        jd          co          mppv        anao     2.00000     3.00000     3.00000     2.50000  -212.64328  -218.83333  268
 Found four species comparison        jd          co          pe          anao     3.50000     3.00000     0.75000     1.75000  -215.01256  -218.83333  269
 Found four species comparison        jd          py          alpv        anao     2.00000     1.00000     2.00000     2.50000  -213.99584  -218.83333  270
 Found four species comparison        jd          py          appv        anao     2.00000     1.00000     2.00000     2.50000  -210.38224  -218.83333  271
 Found four species comparison        jd          py          anao        ky       1.00000     1.00000     3.00000     2.00000  -214.03620  -218.83333  272
 Found four species comparison        jd          mgmj        alpv        anao     2.00000     0.75000     3.00000     2.50000  -212.44323  -218.83333  273
 Found four species comparison        jd          mgmj        appv        anao     2.00000     0.75000     3.00000     2.50000  -207.02284  -218.83333  274
 Found four species comparison        jd          mgmj        anao        ky       0.50000     0.75000     3.25000     3.00000  -212.50378  -218.83333  275
 Found four species comparison        jd          mgpv        alpv        anao     2.00000     3.00000     3.00000     2.50000  -213.94779  -218.83333  276
 Found four species comparison        jd          mgpv        appv        anao     2.00000     3.00000     3.00000     2.50000  -207.42650  -218.83333  277
 Found four species comparison        jd          mgpv        anao        ky       0.50000     3.00000     3.25000     3.00000  -212.90744  -218.83333  278
 Found four species comparison        jd          alpv        mppv        anao     2.00000     3.00000     3.00000     2.50000  -211.05555  -218.83333  279
 Found four species comparison        jd          alpv        pe          anao     3.50000     3.00000     0.75000     1.75000  -213.42483  -218.83333  280
 Found four species comparison        jd          mppv        appv        anao     2.00000     3.00000     3.00000     2.50000  -206.73563  -218.83333  281
 Found four species comparison        jd          mppv        anao        ky       0.50000     3.00000     3.25000     3.00000  -211.11610  -218.83333  282
 Found four species comparison        jd          appv        pe          anao     3.50000     3.00000     0.75000     1.75000  -208.00444  -218.83333  283
 Found four species comparison        jd          pe          anao        ky       2.00000     0.75000     2.50000     3.00000  -213.59971  -218.83333  284
Found three species comparison        jd          anao        mgcf     3.50000     1.75000     3.00000  -214.50269  -218.83333  285
Found three species comparison        jd          anao        mnal     2.75000     1.37500     1.50000  -215.66588  -218.83333  286
 Found four species comparison        mgc2        co          namj        anao     1.00000     4.00000     1.00000     2.50000  -213.61373  -218.83333  287
 Found four species comparison        mgc2        co          qtz         anao     1.50000     3.00000     4.00000     3.50000  -208.70223  -218.83333  288
 Found four species comparison        mgc2        co          coes        anao     1.50000     3.00000     4.00000     3.50000  -209.72053  -218.83333  289
 Found four species comparison        mgc2        co          st          anao     1.50000     3.00000     4.00000     3.50000  -213.17165  -218.83333  290
 Found four species comparison        mgc2        co          apbo        anao     1.50000     3.00000     4.00000     3.50000  -212.04428  -218.83333  291
 Found four species comparison        mgc2        co          anao        nacf     1.50000     3.00000     1.50000     4.00000  -215.08170  -218.83333  292
 Found four species comparison        mgc2        co          anao        nnal     1.50000     3.00000     1.50000     1.33333  -214.13430  -218.83333  293
 Found four species comparison        mgc2        co          anao        neph     1.50000     3.00000     1.50000     4.00000  -206.07900  -218.83333  294
 Found four species comparison        mgc2        namj        alpv        anao     1.00000     1.00000     4.00000     2.50000  -211.49675  -218.83333  295
 Found four species comparison        mgc2        namj        appv        anao     1.00000     1.00000     4.00000     2.50000  -204.26957  -218.83333  296
 Found four species comparison        mgc2        namj        anao        ky       1.40000     0.20000     3.30000     3.20000  -212.02322  -218.83333  297
 Found four species comparison        mgc2        qtz         alpv        anao     1.50000     4.00000     3.00000     3.50000  -207.11450  -218.83333  298
 Found four species comparison        mgc2        qtz         appv        anao     1.50000     4.00000     3.00000     3.50000  -201.69411  -218.83333  299
 Found four species comparison        mgc2        qtz         anao        ky       1.50000     1.00000     3.50000     3.00000  -210.89475  -218.83333  300
 Found four species comparison        mgc2        coes        alpv        anao     1.50000     4.00000     3.00000     3.50000  -208.13280  -218.83333  301
 Found four species comparison        mgc2        coes        appv        anao     1.50000     4.00000     3.00000     3.50000  -202.71242  -218.83333  302
 Found four species comparison        mgc2        coes        anao        ky       1.50000     1.00000     3.50000     3.00000  -211.14933  -218.83333  303
 Found four species comparison        mgc2        st          alpv        anao     1.50000     4.00000     3.00000     3.50000  -211.58392  -218.83333  304
 Found four species comparison        mgc2        st          appv        anao     1.50000     4.00000     3.00000     3.50000  -206.16353  -218.83333  305
 Found four species comparison        mgc2        st          anao        ky       1.50000     1.00000     3.50000     3.00000  -212.01210  -218.83333  306
 Found four species comparison        mgc2        apbo        alpv        anao     1.50000     4.00000     3.00000     3.50000  -210.45655  -218.83333  307
 Found four species comparison        mgc2        apbo        appv        anao     1.50000     4.00000     3.00000     3.50000  -205.03616  -218.83333  308
 Found four species comparison        mgc2        apbo        anao        ky       1.50000     1.00000     3.50000     3.00000  -211.73026  -218.83333  309
 Found four species comparison        mgc2        alpv        anao        nacf     1.50000     3.00000     1.50000     4.00000  -213.49397  -218.83333  310
 Found four species comparison        mgc2        alpv        anao        nnal     1.50000     3.00000     1.50000     1.33333  -212.54657  -218.83333  311
 Found four species comparison        mgc2        alpv        anao        neph     1.50000     3.00000     1.50000     4.00000  -204.49126  -218.83333  312
 Found four species comparison        mgc2        appv        anao        nacf     1.50000     3.00000     1.50000     4.00000  -208.07358  -218.83333  313
 Found four species comparison        mgc2        appv        anao        nnal     1.50000     3.00000     1.50000     1.33333  -207.12618  -218.83333  314
 Found four species comparison        mgc2        appv        anao        neph     1.50000     3.00000     1.50000     4.00000  -199.07088  -218.83333  315
 Found four species comparison        mgc2        anao        nacf        ky       1.50000     3.00000     1.00000     3.00000  -212.48962  -218.83333  316
 Found four species comparison        mgc2        anao        nnal        ky       1.50000     3.00000     0.33333     3.00000  -212.25277  -218.83333  317
 Found four species comparison        mgc2        anao        ky          neph     1.50000     3.00000     3.00000     1.00000  -210.23894  -218.83333  318
 Found four species comparison        mgil        co          namj        anao     2.00000     4.00000     1.00000     2.50000  -214.64182  -218.83333  319
 Found four species comparison        mgil        co          qtz         anao     3.00000     3.00000     4.00000     3.50000  -209.96985  -218.83333  320
 Found four species comparison        mgil        co          coes        anao     3.00000     3.00000     4.00000     3.50000  -210.98815  -218.83333  321
 Found four species comparison        mgil        co          st          anao     3.00000     3.00000     4.00000     3.50000  -214.43927  -218.83333  322
 Found four species comparison        mgil        co          apbo        anao     3.00000     3.00000     4.00000     3.50000  -213.31189  -218.83333  323
 Found four species comparison        mgil        co          anao        nacf     3.00000     3.00000     1.50000     4.00000  -216.34932  -218.83333  324
 Found four species comparison        mgil        co          anao        nnal     3.00000     3.00000     1.50000     1.33333  -215.40192  -218.83333  325
 Found four species comparison        mgil        co          anao        neph     3.00000     3.00000     1.50000     4.00000  -207.34661  -218.83333  326
 Found four species comparison        mgil        namj        alpv        anao     2.00000     1.00000     4.00000     2.50000  -211.95602  -218.83333  327
 Found four species comparison        mgil        namj        appv        anao     2.00000     1.00000     4.00000     2.50000  -204.72884  -218.83333  328
 Found four species comparison        mgil        namj        anao        ky       2.80000     0.20000     3.30000     3.20000  -212.66619  -218.83333  329
 Found four species comparison        mgil        qtz         alpv        anao     3.00000     4.00000     3.00000     3.50000  -207.80341  -218.83333  330
 Found four species comparison        mgil        qtz         appv        anao     3.00000     4.00000     3.00000     3.50000  -202.38302  -218.83333  331
 Found four species comparison        mgil        qtz         anao        ky       3.00000     1.00000     3.50000     3.00000  -211.58366  -218.83333  332
 Found four species comparison        mgil        coes        alpv        anao     3.00000     4.00000     3.00000     3.50000  -208.82171  -218.83333  333
 Found four species comparison        mgil        coes        appv        anao     3.00000     4.00000     3.00000     3.50000  -203.40132  -218.83333  334
 Found four species comparison        mgil        coes        anao        ky       3.00000     1.00000     3.50000     3.00000  -211.83823  -218.83333  335
 Found four species comparison        mgil        st          alpv        anao     3.00000     4.00000     3.00000     3.50000  -212.27283  -218.83333  336
 Found four species comparison        mgil        st          appv        anao     3.00000     4.00000     3.00000     3.50000  -206.85244  -218.83333  337
 Found four species comparison        mgil        st          anao        ky       3.00000     1.00000     3.50000     3.00000  -212.70101  -218.83333  338
 Found four species comparison        mgil        apbo        alpv        anao     3.00000     4.00000     3.00000     3.50000  -211.14545  -218.83333  339
 Found four species comparison        mgil        apbo        appv        anao     3.00000     4.00000     3.00000     3.50000  -205.72506  -218.83333  340
 Found four species comparison        mgil        apbo        anao        ky       3.00000     1.00000     3.50000     3.00000  -212.41917  -218.83333  341
 Found four species comparison        mgil        alpv        anao        nacf     3.00000     3.00000     1.50000     4.00000  -214.18288  -218.83333  342
 Found four species comparison        mgil        alpv        anao        nnal     3.00000     3.00000     1.50000     1.33333  -213.23548  -218.83333  343
 Found four species comparison        mgil        alpv        anao        neph     3.00000     3.00000     1.50000     4.00000  -205.18017  -218.83333  344
 Found four species comparison        mgil        appv        anao        nacf     3.00000     3.00000     1.50000     4.00000  -208.76249  -218.83333  345
 Found four species comparison        mgil        appv        anao        nnal     3.00000     3.00000     1.50000     1.33333  -207.81509  -218.83333  346
 Found four species comparison        mgil        appv        anao        neph     3.00000     3.00000     1.50000     4.00000  -199.75978  -218.83333  347
 Found four species comparison        mgil        anao        nacf        ky       3.00000     3.00000     1.00000     3.00000  -213.17852  -218.83333  348
 Found four species comparison        mgil        anao        nnal        ky       3.00000     3.00000     0.33333     3.00000  -212.94167  -218.83333  349
 Found four species comparison        mgil        anao        ky          neph     3.00000     3.00000     3.00000     1.00000  -210.92785  -218.83333  350
 Found four species comparison        co          py          namj        anao     3.33333     0.66667     1.00000     2.50000  -215.23428  -218.83333  351
 Found four species comparison        co          py          qtz         anao     2.00000     1.00000     4.00000     3.50000  -210.09473  -218.83333  352
 Found four species comparison        co          py          coes        anao     2.00000     1.00000     4.00000     3.50000  -211.11303  -218.83333  353
 Found four species comparison        co          py          st          anao     2.00000     1.00000     4.00000     3.50000  -214.56414  -218.83333  354
 Found four species comparison        co          py          apbo        anao     2.00000     1.00000     4.00000     3.50000  -213.43677  -218.83333  355
 Found four species comparison        co          py          anao        nacf     2.00000     1.00000     1.50000     4.00000  -216.47419  -218.83333  356
 Found four species comparison        co          py          anao        nnal     2.00000     1.00000     1.50000     1.33333  -215.52679  -218.83333  357
 Found four species comparison        co          py          anao        neph     2.00000     1.00000     1.50000     4.00000  -207.47149  -218.83333  358
 Found four species comparison        co          mgmj        namj        anao     4.00000     0.50000     1.00000     2.50000  -213.99762  -218.83333  359
 Found four species comparison        co          mgmj        qtz         anao     3.00000     0.75000     4.00000     3.50000  -209.07136  -218.83333  360
 Found four species comparison        co          mgmj        coes        anao     3.00000     0.75000     4.00000     3.50000  -210.08966  -218.83333  361
 Found four species comparison        co          mgmj        st          anao     3.00000     0.75000     4.00000     3.50000  -213.54078  -218.83333  362
 Found four species comparison        co          mgmj        apbo        anao     3.00000     0.75000     4.00000     3.50000  -212.41341  -218.83333  363
 Found four species comparison        co          mgmj        anao        nacf     3.00000     0.75000     1.50000     4.00000  -215.45083  -218.83333  364
 Found four species comparison        co          mgmj        anao        nnal     3.00000     0.75000     1.50000     1.33333  -214.50343  -218.83333  365
 Found four species comparison        co          mgmj        anao        neph     3.00000     0.75000     1.50000     4.00000  -206.44812  -218.83333  366
 Found four species comparison        co          namj        mgpv        anao     4.00000     1.00000     2.00000     2.50000  -214.12892  -218.83333  367
 Found four species comparison        co          namj        mppv        anao     4.00000     1.00000     2.00000     2.50000  -212.93469  -218.83333  368
 Found four species comparison        co          namj        pe          anao     4.40000     1.40000     0.40000     2.10000  -214.47221  -218.83333  369
 Found four species comparison        co          namj        anao        mgcf     2.80000     1.40000     2.10000     1.60000  -214.04294  -218.83333  370
 Found four species comparison        co          namj        anao        mnal     2.44444     1.22222     1.83333     0.88889  -214.79062  -218.83333  371
 Found four species comparison        co          qtz         mgpv        anao     3.00000     4.00000     3.00000     3.50000  -209.47502  -218.83333  372
 Found four species comparison        co          qtz         mppv        anao     3.00000     4.00000     3.00000     3.50000  -207.68368  -218.83333  373
 Found four species comparison        co          qtz         pe          anao     3.00000     7.00000     0.75000     3.50000  -206.57786  -218.83333  374
 Found four species comparison        co          coes        mgpv        anao     3.00000     4.00000     3.00000     3.50000  -210.49332  -218.83333  375
 Found four species comparison        co          coes        mppv        anao     3.00000     4.00000     3.00000     3.50000  -208.70198  -218.83333  376
 Found four species comparison        co          coes        pe          anao     3.00000     7.00000     0.75000     3.50000  -208.35988  -218.83333  377
 Found four species comparison        co          st          mgpv        anao     3.00000     4.00000     3.00000     3.50000  -213.94444  -218.83333  378
 Found four species comparison        co          st          mppv        anao     3.00000     4.00000     3.00000     3.50000  -212.15310  -218.83333  379
 Found four species comparison        co          st          pe          anao     3.00000     7.00000     0.75000     3.50000  -214.39934  -218.83333  380
 Found four species comparison        co          apbo        mgpv        anao     3.00000     4.00000     3.00000     3.50000  -212.81707  -218.83333  381
 Found four species comparison        co          apbo        mppv        anao     3.00000     4.00000     3.00000     3.50000  -211.02573  -218.83333  382
 Found four species comparison        co          apbo        pe          anao     3.00000     7.00000     0.75000     3.50000  -212.42643  -218.83333  383
 Found four species comparison        co          mgpv        anao        nacf     3.00000     3.00000     1.50000     4.00000  -215.85449  -218.83333  384
 Found four species comparison        co          mgpv        anao        nnal     3.00000     3.00000     1.50000     1.33333  -214.90709  -218.83333  385
 Found four species comparison        co          mgpv        anao        neph     3.00000     3.00000     1.50000     4.00000  -206.85178  -218.83333  386
 Found four species comparison        co          mppv        anao        nacf     3.00000     3.00000     1.50000     4.00000  -214.06315  -218.83333  387
 Found four species comparison        co          mppv        anao        nnal     3.00000     3.00000     1.50000     1.33333  -213.11575  -218.83333  388
 Found four species comparison        co          mppv        anao        neph     3.00000     3.00000     1.50000     4.00000  -205.06044  -218.83333  389
Found three species comparison        co          pe          nacf     3.00000     0.75000     7.00000  -217.03834  -218.83333  390
Found three species comparison        co          pe          nnal     3.00000     0.75000     2.33333  -215.38039  -218.83333  391
Found three species comparison        co          pe          neph     3.00000     0.75000     7.00000  -201.28360  -218.83333  392
 Found four species comparison        py          namj        alpv        anao     0.66667     1.00000     3.33333     2.50000  -213.47013  -218.83333  393
 Found four species comparison        py          namj        appv        anao     0.66667     1.00000     3.33333     2.50000  -207.44748  -218.83333  394
 Found four species comparison        py          namj        anao        ky       0.87500     0.37500     3.12500     2.50000  -214.10173  -218.83333  395
 Found four species comparison        py          qtz         alpv        anao     1.00000     4.00000     2.00000     3.50000  -209.03624  -218.83333  396
 Found four species comparison        py          qtz         appv        anao     1.00000     4.00000     2.00000     3.50000  -205.42265  -218.83333  397
 Found four species comparison        py          qtz         anao        ky       1.00000     2.00000     3.50000     2.00000  -211.55640  -218.83333  398
 Found four species comparison        py          coes        alpv        anao     1.00000     4.00000     2.00000     3.50000  -210.05454  -218.83333  399
 Found four species comparison        py          coes        appv        anao     1.00000     4.00000     2.00000     3.50000  -206.44095  -218.83333  400
 Found four species comparison        py          coes        anao        ky       1.00000     2.00000     3.50000     2.00000  -212.06555  -218.83333  401
 Found four species comparison        py          st          alpv        anao     1.00000     4.00000     2.00000     3.50000  -213.50566  -218.83333  402
 Found four species comparison        py          st          appv        anao     1.00000     4.00000     2.00000     3.50000  -209.89206  -218.83333  403
 Found four species comparison        py          st          anao        ky       1.00000     2.00000     3.50000     2.00000  -213.79111  -218.83333  404
 Found four species comparison        py          apbo        alpv        anao     1.00000     4.00000     2.00000     3.50000  -212.37828  -218.83333  405
 Found four species comparison        py          apbo        appv        anao     1.00000     4.00000     2.00000     3.50000  -208.76469  -218.83333  406
 Found four species comparison        py          apbo        anao        ky       1.00000     2.00000     3.50000     2.00000  -213.22742  -218.83333  407
 Found four species comparison        py          alpv        anao        nacf     1.00000     2.00000     1.50000     4.00000  -215.41571  -218.83333  408
 Found four species comparison        py          alpv        anao        nnal     1.00000     2.00000     1.50000     1.33333  -214.46831  -218.83333  409
 Found four species comparison        py          alpv        anao        neph     1.00000     2.00000     1.50000     4.00000  -206.41300  -218.83333  410
 Found four species comparison        py          appv        anao        nacf     1.00000     2.00000     1.50000     4.00000  -211.80211  -218.83333  411
 Found four species comparison        py          appv        anao        nnal     1.00000     2.00000     1.50000     1.33333  -210.85471  -218.83333  412
 Found four species comparison        py          appv        anao        neph     1.00000     2.00000     1.50000     4.00000  -202.79941  -218.83333  413
 Found four species comparison        py          anao        nacf        ky       1.00000     2.50000     2.00000     2.00000  -214.74614  -218.83333  414
 Found four species comparison        py          anao        nnal        ky       1.00000     2.50000     0.66667     2.00000  -214.27244  -218.83333  415
 Found four species comparison        py          anao        ky          neph     1.00000     2.50000     2.00000     2.00000  -210.24478  -218.83333  416
 Found four species comparison        mgmj        namj        alpv        anao     0.50000     1.00000     4.00000     2.50000  -211.88064  -218.83333  417
 Found four species comparison        mgmj        namj        appv        anao     0.50000     1.00000     4.00000     2.50000  -204.65346  -218.83333  418
 Found four species comparison        mgmj        namj        anao        ky       0.70000     0.20000     3.30000     3.20000  -212.48330  -218.83333  419
 Found four species comparison        mgmj        qtz         alpv        anao     0.75000     4.00000     3.00000     3.50000  -207.48363  -218.83333  420
 Found four species comparison        mgmj        qtz         appv        anao     0.75000     4.00000     3.00000     3.50000  -202.06324  -218.83333  421
 Found four species comparison        mgmj        qtz         anao        ky       0.75000     1.00000     3.50000     3.00000  -211.26388  -218.83333  422
 Found four species comparison        mgmj        coes        alpv        anao     0.75000     4.00000     3.00000     3.50000  -208.50193  -218.83333  423
 Found four species comparison        mgmj        coes        appv        anao     0.75000     4.00000     3.00000     3.50000  -203.08154  -218.83333  424
 Found four species comparison        mgmj        coes        anao        ky       0.75000     1.00000     3.50000     3.00000  -211.51845  -218.83333  425
 Found four species comparison        mgmj        st          alpv        anao     0.75000     4.00000     3.00000     3.50000  -211.95305  -218.83333  426
 Found four species comparison        mgmj        st          appv        anao     0.75000     4.00000     3.00000     3.50000  -206.53266  -218.83333  427
 Found four species comparison        mgmj        st          anao        ky       0.75000     1.00000     3.50000     3.00000  -212.38123  -218.83333  428
 Found four species comparison        mgmj        apbo        alpv        anao     0.75000     4.00000     3.00000     3.50000  -210.82568  -218.83333  429
 Found four species comparison        mgmj        apbo        appv        anao     0.75000     4.00000     3.00000     3.50000  -205.40529  -218.83333  430
 Found four species comparison        mgmj        apbo        anao        ky       0.75000     1.00000     3.50000     3.00000  -212.09939  -218.83333  431
 Found four species comparison        mgmj        alpv        anao        nacf     0.75000     3.00000     1.50000     4.00000  -213.86310  -218.83333  432
 Found four species comparison        mgmj        alpv        anao        nnal     0.75000     3.00000     1.50000     1.33333  -212.91570  -218.83333  433
 Found four species comparison        mgmj        alpv        anao        neph     0.75000     3.00000     1.50000     4.00000  -204.86039  -218.83333  434
 Found four species comparison        mgmj        appv        anao        nacf     0.75000     3.00000     1.50000     4.00000  -208.44271  -218.83333  435
 Found four species comparison        mgmj        appv        anao        nnal     0.75000     3.00000     1.50000     1.33333  -207.49531  -218.83333  436
 Found four species comparison        mgmj        appv        anao        neph     0.75000     3.00000     1.50000     4.00000  -199.44001  -218.83333  437
 Found four species comparison        mgmj        anao        nacf        ky       0.75000     3.00000     1.00000     3.00000  -212.85875  -218.83333  438
 Found four species comparison        mgmj        anao        nnal        ky       0.75000     3.00000     0.33333     3.00000  -212.62190  -218.83333  439
 Found four species comparison        mgmj        anao        ky          neph     0.75000     3.00000     3.00000     1.00000  -210.60807  -218.83333  440
 Found four species comparison        namj        mgpv        alpv        anao     1.00000     2.00000     4.00000     2.50000  -213.04494  -218.83333  441
 Found four species comparison        namj        mgpv        appv        anao     1.00000     2.00000     4.00000     2.50000  -204.78476  -218.83333  442
 Found four species comparison        namj        mgpv        anao        ky       0.20000     2.80000     3.30000     3.20000  -212.74449  -218.83333  443
 Found four species comparison        namj        alpv        mppv        anao     1.00000     4.00000     2.00000     2.50000  -210.81772  -218.83333  444
 Found four species comparison        namj        alpv        pe          anao     1.40000     4.40000     0.40000     2.10000  -212.14354  -218.83333  445
 Found four species comparison        namj        alpv        anao        mgcf     1.40000     2.80000     2.10000     1.60000  -212.56106  -218.83333  446
 Found four species comparison        namj        alpv        anao        mnal     1.22222     2.44444     1.83333     0.88889  -213.49691  -218.83333  447
 Found four species comparison        namj        mppv        appv        anao     1.00000     2.00000     4.00000     2.50000  -204.62314  -218.83333  448
 Found four species comparison        namj        mppv        anao        ky       0.20000     2.80000     3.30000     3.20000  -211.07257  -218.83333  449
 Found four species comparison        namj        appv        pe          anao     1.40000     4.40000     0.40000     2.10000  -204.19364  -218.83333  450
 Found four species comparison        namj        appv        anao        mgcf     1.40000     2.80000     2.10000     1.60000  -207.50203  -218.83333  451
 Found four species comparison        namj        appv        anao        mnal     1.22222     2.44444     1.83333     0.88889  -209.08030  -218.83333  452
 Found four species comparison        namj        pe          anao        ky       0.66667     0.58333     2.83333     3.66667  -213.01712  -218.83333  453
 Found four species comparison        namj        anao        mgcf        ky       1.00000     2.50000     2.00000     2.00000  -213.15617  -218.83333  454
 Found four species comparison        namj        anao        mnal        ky       0.84615     2.11538     1.07692     1.69231  -214.19844  -218.83333  455
 Found four species comparison        qtz         mgpv        alpv        anao     4.00000     3.00000     3.00000     3.50000  -208.98819  -218.83333  456
 Found four species comparison        qtz         mgpv        appv        anao     4.00000     3.00000     3.00000     3.50000  -202.46690  -218.83333  457
 Found four species comparison        qtz         mgpv        anao        ky       1.00000     3.00000     3.50000     3.00000  -211.66754  -218.83333  458
 Found four species comparison        qtz         alpv        mppv        anao     4.00000     3.00000     3.00000     3.50000  -206.09595  -218.83333  459
 Found four species comparison        qtz         alpv        pe          anao     7.00000     3.00000     0.75000     3.50000  -204.99013  -218.83333  460
 Found four species comparison        qtz         mppv        appv        anao     4.00000     3.00000     3.00000     3.50000  -201.77603  -218.83333  461
 Found four species comparison        qtz         mppv        anao        ky       1.00000     3.00000     3.50000     3.00000  -209.87620  -218.83333  462
 Found four species comparison        qtz         appv        pe          anao     7.00000     3.00000     0.75000     3.50000  -199.56974  -218.83333  463
 Found four species comparison        qtz         pe          anao        ky       4.00000     0.75000     3.50000     3.00000  -208.77037  -218.83333  464
Found three species comparison        qtz         anao        mgcf     7.00000     3.50000     3.00000  -205.82339  -218.83333  465
Found three species comparison        qtz         anao        mnal     5.50000     2.75000     1.50000  -208.84643  -218.83333  466
 Found four species comparison        coes        mgpv        alpv        anao     4.00000     3.00000     3.00000     3.50000  -210.00649  -218.83333  467
 Found four species comparison        coes        mgpv        appv        anao     4.00000     3.00000     3.00000     3.50000  -203.48520  -218.83333  468
 Found four species comparison        coes        mgpv        anao        ky       1.00000     3.00000     3.50000     3.00000  -211.92211  -218.83333  469
 Found four species comparison        coes        alpv        mppv        anao     4.00000     3.00000     3.00000     3.50000  -207.11425  -218.83333  470
 Found four species comparison        coes        alpv        pe          anao     7.00000     3.00000     0.75000     3.50000  -206.77215  -218.83333  471
 Found four species comparison        coes        mppv        appv        anao     4.00000     3.00000     3.00000     3.50000  -202.79433  -218.83333  472
 Found four species comparison        coes        mppv        anao        ky       1.00000     3.00000     3.50000     3.00000  -210.13077  -218.83333  473
 Found four species comparison        coes        appv        pe          anao     7.00000     3.00000     0.75000     3.50000  -201.35177  -218.83333  474
 Found four species comparison        coes        pe          anao        ky       4.00000     0.75000     3.50000     3.00000  -209.78867  -218.83333  475
Found three species comparison        coes        anao        mgcf     7.00000     3.50000     3.00000  -207.60542  -218.83333  476
Found three species comparison        coes        anao        mnal     5.50000     2.75000     1.50000  -210.24659  -218.83333  477
 Found four species comparison        st          mgpv        alpv        anao     4.00000     3.00000     3.00000     3.50000  -213.45761  -218.83333  478
 Found four species comparison        st          mgpv        appv        anao     4.00000     3.00000     3.00000     3.50000  -206.93632  -218.83333  479
 Found four species comparison        st          mgpv        anao        ky       1.00000     3.00000     3.50000     3.00000  -212.78489  -218.83333  480
 Found four species comparison        st          alpv        mppv        anao     4.00000     3.00000     3.00000     3.50000  -210.56537  -218.83333  481
 Found four species comparison        st          alpv        pe          anao     7.00000     3.00000     0.75000     3.50000  -212.81161  -218.83333  482
 Found four species comparison        st          mppv        appv        anao     4.00000     3.00000     3.00000     3.50000  -206.24545  -218.83333  483
 Found four species comparison        st          mppv        anao        ky       1.00000     3.00000     3.50000     3.00000  -210.99355  -218.83333  484
 Found four species comparison        st          appv        pe          anao     7.00000     3.00000     0.75000     3.50000  -207.39122  -218.83333  485
 Found four species comparison        st          pe          anao        ky       4.00000     0.75000     3.50000     3.00000  -213.23979  -218.83333  486
Found three species comparison        st          anao        mgcf     7.00000     3.50000     3.00000  -213.64487  -218.83333  487
Found three species comparison        st          anao        mnal     5.50000     2.75000     1.50000  -214.99188  -218.83333  488
 Found four species comparison        apbo        mgpv        alpv        anao     4.00000     3.00000     3.00000     3.50000  -212.33023  -218.83333  489
 Found four species comparison        apbo        mgpv        appv        anao     4.00000     3.00000     3.00000     3.50000  -205.80895  -218.83333  490
 Found four species comparison        apbo        mgpv        anao        ky       1.00000     3.00000     3.50000     3.00000  -212.50305  -218.83333  491
 Found four species comparison        apbo        alpv        mppv        anao     4.00000     3.00000     3.00000     3.50000  -209.43800  -218.83333  492
 Found four species comparison        apbo        alpv        pe          anao     7.00000     3.00000     0.75000     3.50000  -210.83870  -218.83333  493
 Found four species comparison        apbo        mppv        appv        anao     4.00000     3.00000     3.00000     3.50000  -205.11807  -218.83333  494
 Found four species comparison        apbo        mppv        anao        ky       1.00000     3.00000     3.50000     3.00000  -210.71171  -218.83333  495
 Found four species comparison        apbo        appv        pe          anao     7.00000     3.00000     0.75000     3.50000  -205.41831  -218.83333  496
 Found four species comparison        apbo        pe          anao        ky       4.00000     0.75000     3.50000     3.00000  -212.11242  -218.83333  497
Found three species comparison        apbo        anao        mgcf     7.00000     3.50000     3.00000  -211.67197  -218.83333  498
Found three species comparison        apbo        anao        mnal     5.50000     2.75000     1.50000  -213.44174  -218.83333  499
 Found four species comparison        mgpv        alpv        anao        nacf     3.00000     3.00000     1.50000     4.00000  -215.36766  -218.83333  500
 Found four species comparison        mgpv        alpv        anao        nnal     3.00000     3.00000     1.50000     1.33333  -214.42026  -218.83333  501
 Found four species comparison        mgpv        alpv        anao        neph     3.00000     3.00000     1.50000     4.00000  -206.36495  -218.83333  502
 Found four species comparison        mgpv        appv        anao        nacf     3.00000     3.00000     1.50000     4.00000  -208.84637  -218.83333  503
 Found four species comparison        mgpv        appv        anao        nnal     3.00000     3.00000     1.50000     1.33333  -207.89897  -218.83333  504
 Found four species comparison        mgpv        appv        anao        neph     3.00000     3.00000     1.50000     4.00000  -199.84366  -218.83333  505
 Found four species comparison        mgpv        anao        nacf        ky       3.00000     3.00000     1.00000     3.00000  -213.26241  -218.83333  506
 Found four species comparison        mgpv        anao        nnal        ky       3.00000     3.00000     0.33333     3.00000  -213.02556  -218.83333  507
 Found four species comparison        mgpv        anao        ky          neph     3.00000     3.00000     3.00000     1.00000  -211.01173  -218.83333  508
 Found four species comparison        alpv        mppv        anao        nacf     3.00000     3.00000     1.50000     4.00000  -212.47542  -218.83333  509
 Found four species comparison        alpv        mppv        anao        nnal     3.00000     3.00000     1.50000     1.33333  -211.52802  -218.83333  510
 Found four species comparison        alpv        mppv        anao        neph     3.00000     3.00000     1.50000     4.00000  -203.47271  -218.83333  511
Found three species comparison        alpv        pe          nacf     3.00000     0.75000     7.00000  -215.45061  -218.83333  512
Found three species comparison        alpv        pe          nnal     3.00000     0.75000     2.33333  -213.79266  -218.83333  513
Found three species comparison        alpv        pe          neph     3.00000     0.75000     7.00000  -199.69587  -218.83333  514
 Found four species comparison        mppv        appv        anao        nacf     3.00000     3.00000     1.50000     4.00000  -208.15550  -218.83333  515
 Found four species comparison        mppv        appv        anao        nnal     3.00000     3.00000     1.50000     1.33333  -207.20810  -218.83333  516
 Found four species comparison        mppv        appv        anao        neph     3.00000     3.00000     1.50000     4.00000  -199.15279  -218.83333  517
 Found four species comparison        mppv        anao        nacf        ky       3.00000     3.00000     1.00000     3.00000  -211.47107  -218.83333  518
 Found four species comparison        mppv        anao        nnal        ky       3.00000     3.00000     0.33333     3.00000  -211.23422  -218.83333  519
 Found four species comparison        mppv        anao        ky          neph     3.00000     3.00000     3.00000     1.00000  -209.22039  -218.83333  520
Found three species comparison        appv        pe          nacf     3.00000     0.75000     7.00000  -210.03022  -218.83333  521
Found three species comparison        appv        pe          nnal     3.00000     0.75000     2.33333  -208.37227  -218.83333  522
Found three species comparison        appv        pe          neph     3.00000     0.75000     7.00000  -194.27548  -218.83333  523
 Found four species comparison        pe          anao        nacf        ky       0.75000     1.50000     4.00000     3.00000  -214.86356  -218.83333  524
 Found four species comparison        pe          anao        nnal        ky       0.75000     1.50000     1.33333     3.00000  -213.91616  -218.83333  525
 Found four species comparison        pe          anao        ky          neph     0.75000     1.50000     3.00000     4.00000  -205.86086  -218.83333  526
  Found two species comparison        mgcf        nacf     3.00000     7.00000  -218.83333  -218.83333  527
  Found two species comparison        mgcf        nnal     3.00000     2.33333  -215.32951  -218.83333  528
  Found two species comparison        mgcf        neph     3.00000     7.00000  -201.23272  -218.83333  529
  Found two species comparison        nacf        mnal     5.50000     1.50000  -217.61820  -218.83333  530
  Found two species comparison        mnal        nnal     1.50000     1.83333  -218.33486  -218.83333  531
  Found two species comparison        mnal        neph     1.50000     5.50000  -205.23948  -218.83333  532
 331 mnalnnal          12.00  18.00   0.00   0.00  48.00  12.00 120.00
Number of non-zero components,phases,Gapp    5    1      -266.65064        16.50000      1873.00000
Found three species comparison        ab          sp          anao     4.00000     4.50000     4.00000  -261.26031  -266.65064    1
 Found four species comparison        ab          fo          co          anao     1.00000     9.00000    18.00000     5.50000  -263.43251  -266.65064    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     9.00000    18.00000     5.50000  -259.97410  -266.65064    3
 Found four species comparison        ab          fo          appv        anao     1.00000     9.00000    18.00000     5.50000  -248.62940  -266.65064    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     9.00000    18.00000     5.50000  -263.60266  -266.65064    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     9.00000    18.00000     5.50000  -260.14425  -266.65064    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     9.00000    18.00000     5.50000  -248.79954  -266.65064    7
 Found four species comparison        ab          mgri        co          anao     1.00000     9.00000    18.00000     5.50000  -263.46546  -266.65064    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     9.00000    18.00000     5.50000  -260.00704  -266.65064    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     9.00000    18.00000     5.50000  -248.66234  -266.65064   10
 Found four species comparison        ab          co          pe          anao     4.00000    18.00000     4.50000     4.00000  -261.43868  -266.65064   11
 Found four species comparison        ab          alpv        pe          anao     4.00000    18.00000     4.50000     4.00000  -257.98027  -266.65064   12
 Found four species comparison        ab          appv        pe          anao     4.00000    18.00000     4.50000     4.00000  -246.63556  -266.65064   13
Found three species comparison        ab          anao        mgcf     4.00000     4.00000    18.00000  -260.55155  -266.65064   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     9.00000  -265.02980  -266.65064   15
 Found four species comparison        sp          fo          anao        ky       2.50000     4.00000     6.00000     8.00000  -263.43733  -266.65064   16
 Found four species comparison        sp          mgwa        anao        ky       2.50000     4.00000     6.00000     8.00000  -263.51295  -266.65064   17
 Found four species comparison        sp          mgri        anao        ky       2.50000     4.00000     6.00000     8.00000  -263.45198  -266.65064   18
 Found four species comparison        sp          en          co          anao     1.50000     6.00000    12.00000     6.00000  -263.97225  -266.65064   19
 Found four species comparison        sp          en          alpv        anao     1.50000     6.00000    12.00000     6.00000  -261.66663  -266.65064   20
 Found four species comparison        sp          en          appv        anao     1.50000     6.00000    12.00000     6.00000  -254.10350  -266.65064   21
 Found four species comparison        sp          en          anao        ky       3.00000     3.00000     6.00000     6.00000  -263.52498  -266.65064   22
Found three species comparison        sp          mgts        anao     1.50000    12.00000     6.00000  -262.62635  -266.65064   23
 Found four species comparison        sp          cen         co          anao     1.50000     6.00000    12.00000     6.00000  -263.64889  -266.65064   24
 Found four species comparison        sp          cen         alpv        anao     1.50000     6.00000    12.00000     6.00000  -261.34327  -266.65064   25
 Found four species comparison        sp          cen         appv        anao     1.50000     6.00000    12.00000     6.00000  -253.78014  -266.65064   26
 Found four species comparison        sp          cen         anao        ky       3.00000     3.00000     6.00000     6.00000  -263.36330  -266.65064   27
Found three species comparison        sp          jd          anao     4.50000     6.00000     3.00000  -265.40888  -266.65064   28
 Found four species comparison        sp          mgc2        co          anao     1.50000     6.00000    12.00000     6.00000  -264.05658  -266.65064   29
 Found four species comparison        sp          mgc2        alpv        anao     1.50000     6.00000    12.00000     6.00000  -261.75097  -266.65064   30
 Found four species comparison        sp          mgc2        appv        anao     1.50000     6.00000    12.00000     6.00000  -254.18783  -266.65064   31
 Found four species comparison        sp          mgc2        anao        ky       3.00000     3.00000     6.00000     6.00000  -263.56714  -266.65064   32
 Found four species comparison        sp          mgil        co          anao     1.50000    12.00000    12.00000     6.00000  -264.51958  -266.65064   33
 Found four species comparison        sp          mgil        alpv        anao     1.50000    12.00000    12.00000     6.00000  -261.44236  -266.65064   34
 Found four species comparison        sp          mgil        appv        anao     1.50000    12.00000    12.00000     6.00000  -253.87922  -266.65064   35
 Found four species comparison        sp          mgil        anao        ky       3.00000     6.00000     6.00000     6.00000  -263.41284  -266.65064   36
 Found four species comparison        sp          co          py          anao     1.50000     8.00000     4.00000     6.00000  -265.51506  -266.65064   37
 Found four species comparison        sp          co          mgmj        anao     1.50000    12.00000     3.00000     6.00000  -263.97927  -266.65064   38
 Found four species comparison        sp          co          namj        anao     3.90000     4.80000     2.40000     3.60000  -264.24416  -266.65064   39
 Found four species comparison        sp          co          mgpv        anao     1.50000    12.00000    12.00000     6.00000  -263.27844  -266.65064   40
 Found four species comparison        sp          co          mppv        anao     1.50000    12.00000    12.00000     6.00000  -260.60272  -266.65064   41
 Found four species comparison        sp          py          alpv        anao     1.50000     4.00000     8.00000     6.00000  -263.97798  -266.65064   42
 Found four species comparison        sp          py          appv        anao     1.50000     4.00000     8.00000     6.00000  -258.93589  -266.65064   43
 Found four species comparison        sp          py          anao        ky       2.70000     2.40000     6.00000     4.80000  -264.54012  -266.65064   44
 Found four species comparison        sp          mgmj        alpv        anao     1.50000     3.00000    12.00000     6.00000  -261.67366  -266.65064   45
 Found four species comparison        sp          mgmj        appv        anao     1.50000     3.00000    12.00000     6.00000  -254.11053  -266.65064   46
 Found four species comparison        sp          mgmj        anao        ky       3.00000     1.50000     6.00000     6.00000  -263.52849  -266.65064   47
 Found four species comparison        sp          namj        alpv        anao     3.90000     2.40000     4.80000     3.60000  -263.32191  -266.65064   48
 Found four species comparison        sp          namj        appv        anao     3.90000     2.40000     4.80000     3.60000  -260.29666  -266.65064   49
 Found four species comparison        sp          namj        anao        ky       4.07143     1.71429     4.28571     3.42857  -263.91089  -266.65064   50
Found three species comparison        sp          qtz         anao     4.50000    12.00000     6.00000  -260.93526  -266.65064   51
Found three species comparison        sp          coes        anao     4.50000    12.00000     6.00000  -261.76857  -266.65064   52
Found three species comparison        sp          st          anao     4.50000    12.00000     6.00000  -263.42273  -266.65064   53
Found three species comparison        sp          apbo        anao     4.50000    12.00000     6.00000  -262.16418  -266.65064   54
 Found four species comparison        sp          mgpv        alpv        anao     1.50000    12.00000    12.00000     6.00000  -262.44069  -266.65064   55
 Found four species comparison        sp          mgpv        appv        anao     1.50000    12.00000    12.00000     6.00000  -253.40969  -266.65064   56
 Found four species comparison        sp          mgpv        anao        ky       3.00000     6.00000     6.00000     6.00000  -263.17807  -266.65064   57
 Found four species comparison        sp          alpv        mppv        anao     1.50000    12.00000    12.00000     6.00000  -258.29711  -266.65064   58
 Found four species comparison        sp          mppv        appv        anao     1.50000    12.00000    12.00000     6.00000  -252.20126  -266.65064   59
 Found four species comparison        sp          mppv        anao        ky       3.00000     6.00000     6.00000     6.00000  -261.84021  -266.65064   60
 Found four species comparison        sp          pe          anao        ky       1.50000     3.00000     6.00000    12.00000  -263.39757  -266.65064   61
  Found two species comparison        sp          nacf     4.50000    12.00000  -265.30015  -266.65064   62
  Found two species comparison        sp          nnal     4.50000     4.00000  -264.31781  -266.65064   63
  Found two species comparison        sp          neph     4.50000    12.00000  -260.20938  -266.65064   64
 Found four species comparison        fo          en          co          anao     6.00000     3.00000    18.00000     6.00000  -264.06441  -266.65064   65
 Found four species comparison        fo          en          alpv        anao     6.00000     3.00000    18.00000     6.00000  -260.60600  -266.65064   66
 Found four species comparison        fo          en          appv        anao     6.00000     3.00000    18.00000     6.00000  -249.26130  -266.65064   67
 Found four species comparison        fo          mgts        co          anao     6.00000     6.00000    12.00000     6.00000  -263.39147  -266.65064   68
 Found four species comparison        fo          mgts        alpv        anao     6.00000     6.00000    12.00000     6.00000  -261.08586  -266.65064   69
 Found four species comparison        fo          mgts        appv        anao     6.00000     6.00000    12.00000     6.00000  -253.52272  -266.65064   70
 Found four species comparison        fo          cen         co          anao     6.00000     3.00000    18.00000     6.00000  -263.90273  -266.65064   71
 Found four species comparison        fo          cen         alpv        anao     6.00000     3.00000    18.00000     6.00000  -260.44432  -266.65064   72
 Found four species comparison        fo          cen         appv        anao     6.00000     3.00000    18.00000     6.00000  -249.09962  -266.65064   73
 Found four species comparison        fo          jd          co          anao     9.00000     1.50000    18.00000     5.25000  -264.46966  -266.65064   74
 Found four species comparison        fo          jd          alpv        anao     9.00000     1.50000    18.00000     5.25000  -261.01124  -266.65064   75
 Found four species comparison        fo          jd          appv        anao     9.00000     1.50000    18.00000     5.25000  -249.66654  -266.65064   76
 Found four species comparison        fo          mgc2        co          anao     6.00000     3.00000    18.00000     6.00000  -264.10658  -266.65064   77
 Found four species comparison        fo          mgc2        alpv        anao     6.00000     3.00000    18.00000     6.00000  -260.64816  -266.65064   78
 Found four species comparison        fo          mgc2        appv        anao     6.00000     3.00000    18.00000     6.00000  -249.30346  -266.65064   79
 Found four species comparison        fo          mgil        co          anao     6.00000     6.00000    18.00000     6.00000  -264.68217  -266.65064   80
 Found four species comparison        fo          mgil        alpv        anao     6.00000     6.00000    18.00000     6.00000  -260.49386  -266.65064   81
 Found four species comparison        fo          mgil        appv        anao     6.00000     6.00000    18.00000     6.00000  -249.14916  -266.65064   82
 Found four species comparison        fo          co          py          anao     6.00000    16.00000     2.00000     6.00000  -264.83582  -266.65064   83
 Found four species comparison        fo          co          mgmj        anao     6.00000    18.00000     1.50000     6.00000  -264.06793  -266.65064   84
 Found four species comparison        fo          co          namj        anao     8.66667    18.66667     0.66667     5.33333  -264.18091  -266.65064   85
 Found four species comparison        fo          co          qtz         anao     9.00000    18.00000     3.00000     6.00000  -263.35125  -266.65064   86
 Found four species comparison        fo          co          coes        anao     9.00000    18.00000     3.00000     6.00000  -263.55958  -266.65064   87
 Found four species comparison        fo          co          st          anao     9.00000    18.00000     3.00000     6.00000  -263.97312  -266.65064   88
 Found four species comparison        fo          co          apbo        anao     9.00000    18.00000     3.00000     6.00000  -263.65848  -266.65064   89
 Found four species comparison        fo          co          mgpv        anao     6.00000    18.00000     6.00000     6.00000  -263.71751  -266.65064   90
 Found four species comparison        fo          co          mppv        anao     6.00000    18.00000     6.00000     6.00000  -262.37965  -266.65064   91
 Found four species comparison        fo          co          anao        nacf     9.00000    18.00000     4.50000     3.00000  -264.44247  -266.65064   92
 Found four species comparison        fo          co          anao        nnal     9.00000    18.00000     4.50000     1.00000  -264.19689  -266.65064   93
 Found four species comparison        fo          co          anao        ky       9.00000    15.00000     6.00000     3.00000  -263.88686  -266.65064   94
 Found four species comparison        fo          co          anao        neph     9.00000    18.00000     4.50000     3.00000  -263.16978  -266.65064   95
 Found four species comparison        fo          py          alpv        anao     6.00000     2.00000    16.00000     6.00000  -261.76167  -266.65064   96
 Found four species comparison        fo          py          appv        anao     6.00000     2.00000    16.00000     6.00000  -251.67749  -266.65064   97
 Found four species comparison        fo          mgmj        alpv        anao     6.00000     1.50000    18.00000     6.00000  -260.60951  -266.65064   98
 Found four species comparison        fo          mgmj        appv        anao     6.00000     1.50000    18.00000     6.00000  -249.26481  -266.65064   99
 Found four species comparison        fo          namj        alpv        anao     8.66667     0.66667    18.66667     5.33333  -260.59440  -266.65064  100
 Found four species comparison        fo          namj        appv        anao     8.66667     0.66667    18.66667     5.33333  -248.82953  -266.65064  101
 Found four species comparison        fo          qtz         alpv        anao     9.00000     3.00000    18.00000     6.00000  -259.89283  -266.65064  102
 Found four species comparison        fo          qtz         appv        anao     9.00000     3.00000    18.00000     6.00000  -248.54813  -266.65064  103
 Found four species comparison        fo          coes        alpv        anao     9.00000     3.00000    18.00000     6.00000  -260.10116  -266.65064  104
 Found four species comparison        fo          coes        appv        anao     9.00000     3.00000    18.00000     6.00000  -248.75646  -266.65064  105
 Found four species comparison        fo          st          alpv        anao     9.00000     3.00000    18.00000     6.00000  -260.51470  -266.65064  106
 Found four species comparison        fo          st          appv        anao     9.00000     3.00000    18.00000     6.00000  -249.17000  -266.65064  107
 Found four species comparison        fo          apbo        alpv        anao     9.00000     3.00000    18.00000     6.00000  -260.20007  -266.65064  108
 Found four species comparison        fo          apbo        appv        anao     9.00000     3.00000    18.00000     6.00000  -248.85536  -266.65064  109
 Found four species comparison        fo          mgpv        alpv        anao     6.00000     6.00000    18.00000     6.00000  -261.51118  -266.65064  110
 Found four species comparison        fo          mgpv        appv        anao     6.00000     6.00000    18.00000     6.00000  -248.91439  -266.65064  111
 Found four species comparison        fo          alpv        mppv        anao     6.00000    18.00000     6.00000     6.00000  -258.92123  -266.65064  112
 Found four species comparison        fo          alpv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -260.98406  -266.65064  113
 Found four species comparison        fo          alpv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -260.73847  -266.65064  114
 Found four species comparison        fo          alpv        anao        ky       9.00000    15.00000     6.00000     3.00000  -261.00485  -266.65064  115
 Found four species comparison        fo          alpv        anao        neph     9.00000    18.00000     4.50000     3.00000  -259.71136  -266.65064  116
 Found four species comparison        fo          mppv        appv        anao     6.00000     6.00000    18.00000     6.00000  -248.82819  -266.65064  117
 Found four species comparison        fo          appv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -249.63936  -266.65064  118
 Found four species comparison        fo          appv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -249.39377  -266.65064  119
 Found four species comparison        fo          appv        anao        ky       9.00000    15.00000     6.00000     3.00000  -251.55093  -266.65064  120
 Found four species comparison        fo          appv        anao        neph     9.00000    18.00000     4.50000     3.00000  -248.36666  -266.65064  121
 Found four species comparison        fo          anao        mgcf        ky       4.00000     6.00000    10.00000     8.00000  -263.04358  -266.65064  122
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     7.50000     3.00000  -265.21794  -266.65064  123
 Found four species comparison        mgwa        en          co          anao     6.00000     3.00000    18.00000     6.00000  -264.17785  -266.65064  124
 Found four species comparison        mgwa        en          alpv        anao     6.00000     3.00000    18.00000     6.00000  -260.71943  -266.65064  125
 Found four species comparison        mgwa        en          appv        anao     6.00000     3.00000    18.00000     6.00000  -249.37473  -266.65064  126
 Found four species comparison        mgwa        mgts        co          anao     6.00000     6.00000    12.00000     6.00000  -263.50490  -266.65064  127
 Found four species comparison        mgwa        mgts        alpv        anao     6.00000     6.00000    12.00000     6.00000  -261.19929  -266.65064  128
 Found four species comparison        mgwa        mgts        appv        anao     6.00000     6.00000    12.00000     6.00000  -253.63616  -266.65064  129
 Found four species comparison        mgwa        cen         co          anao     6.00000     3.00000    18.00000     6.00000  -264.01617  -266.65064  130
 Found four species comparison        mgwa        cen         alpv        anao     6.00000     3.00000    18.00000     6.00000  -260.55775  -266.65064  131
 Found four species comparison        mgwa        cen         appv        anao     6.00000     3.00000    18.00000     6.00000  -249.21305  -266.65064  132
 Found four species comparison        mgwa        jd          co          anao     9.00000     1.50000    18.00000     5.25000  -264.63980  -266.65064  133
 Found four species comparison        mgwa        jd          alpv        anao     9.00000     1.50000    18.00000     5.25000  -261.18139  -266.65064  134
 Found four species comparison        mgwa        jd          appv        anao     9.00000     1.50000    18.00000     5.25000  -249.83669  -266.65064  135
 Found four species comparison        mgwa        mgc2        co          anao     6.00000     3.00000    18.00000     6.00000  -264.22001  -266.65064  136
 Found four species comparison        mgwa        mgc2        alpv        anao     6.00000     3.00000    18.00000     6.00000  -260.76160  -266.65064  137
 Found four species comparison        mgwa        mgc2        appv        anao     6.00000     3.00000    18.00000     6.00000  -249.41690  -266.65064  138
 Found four species comparison        mgwa        mgil        co          anao     6.00000     6.00000    18.00000     6.00000  -264.79561  -266.65064  139
 Found four species comparison        mgwa        mgil        alpv        anao     6.00000     6.00000    18.00000     6.00000  -260.60729  -266.65064  140
 Found four species comparison        mgwa        mgil        appv        anao     6.00000     6.00000    18.00000     6.00000  -249.26259  -266.65064  141
 Found four species comparison        mgwa        co          py          anao     6.00000    16.00000     2.00000     6.00000  -264.94925  -266.65064  142
 Found four species comparison        mgwa        co          mgmj        anao     6.00000    18.00000     1.50000     6.00000  -264.18136  -266.65064  143
 Found four species comparison        mgwa        co          namj        anao     8.66667    18.66667     0.66667     5.33333  -264.34476  -266.65064  144
 Found four species comparison        mgwa        co          qtz         anao     9.00000    18.00000     3.00000     6.00000  -263.52140  -266.65064  145
 Found four species comparison        mgwa        co          coes        anao     9.00000    18.00000     3.00000     6.00000  -263.72973  -266.65064  146
 Found four species comparison        mgwa        co          st          anao     9.00000    18.00000     3.00000     6.00000  -264.14327  -266.65064  147
 Found four species comparison        mgwa        co          apbo        anao     9.00000    18.00000     3.00000     6.00000  -263.82863  -266.65064  148
 Found four species comparison        mgwa        co          mgpv        anao     6.00000    18.00000     6.00000     6.00000  -263.83094  -266.65064  149
 Found four species comparison        mgwa        co          mppv        anao     6.00000    18.00000     6.00000     6.00000  -262.49308  -266.65064  150
 Found four species comparison        mgwa        co          anao        nacf     9.00000    18.00000     4.50000     3.00000  -264.61262  -266.65064  151
 Found four species comparison        mgwa        co          anao        nnal     9.00000    18.00000     4.50000     1.00000  -264.36704  -266.65064  152
 Found four species comparison        mgwa        co          anao        ky       9.00000    15.00000     6.00000     3.00000  -264.05701  -266.65064  153
 Found four species comparison        mgwa        co          anao        neph     9.00000    18.00000     4.50000     3.00000  -263.33993  -266.65064  154
 Found four species comparison        mgwa        py          alpv        anao     6.00000     2.00000    16.00000     6.00000  -261.87510  -266.65064  155
 Found four species comparison        mgwa        py          appv        anao     6.00000     2.00000    16.00000     6.00000  -251.79092  -266.65064  156
 Found four species comparison        mgwa        mgmj        alpv        anao     6.00000     1.50000    18.00000     6.00000  -260.72294  -266.65064  157
 Found four species comparison        mgwa        mgmj        appv        anao     6.00000     1.50000    18.00000     6.00000  -249.37824  -266.65064  158
 Found four species comparison        mgwa        namj        alpv        anao     8.66667     0.66667    18.66667     5.33333  -260.75825  -266.65064  159
 Found four species comparison        mgwa        namj        appv        anao     8.66667     0.66667    18.66667     5.33333  -248.99337  -266.65064  160
 Found four species comparison        mgwa        qtz         alpv        anao     9.00000     3.00000    18.00000     6.00000  -260.06298  -266.65064  161
 Found four species comparison        mgwa        qtz         appv        anao     9.00000     3.00000    18.00000     6.00000  -248.71828  -266.65064  162
 Found four species comparison        mgwa        coes        alpv        anao     9.00000     3.00000    18.00000     6.00000  -260.27131  -266.65064  163
 Found four species comparison        mgwa        coes        appv        anao     9.00000     3.00000    18.00000     6.00000  -248.92661  -266.65064  164
 Found four species comparison        mgwa        st          alpv        anao     9.00000     3.00000    18.00000     6.00000  -260.68485  -266.65064  165
 Found four species comparison        mgwa        st          appv        anao     9.00000     3.00000    18.00000     6.00000  -249.34015  -266.65064  166
 Found four species comparison        mgwa        apbo        alpv        anao     9.00000     3.00000    18.00000     6.00000  -260.37021  -266.65064  167
 Found four species comparison        mgwa        apbo        appv        anao     9.00000     3.00000    18.00000     6.00000  -249.02551  -266.65064  168
 Found four species comparison        mgwa        mgpv        alpv        anao     6.00000     6.00000    18.00000     6.00000  -261.62461  -266.65064  169
 Found four species comparison        mgwa        mgpv        appv        anao     6.00000     6.00000    18.00000     6.00000  -249.02783  -266.65064  170
 Found four species comparison        mgwa        alpv        mppv        anao     6.00000    18.00000     6.00000     6.00000  -259.03467  -266.65064  171
 Found four species comparison        mgwa        alpv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -261.15421  -266.65064  172
 Found four species comparison        mgwa        alpv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -260.90862  -266.65064  173
 Found four species comparison        mgwa        alpv        anao        ky       9.00000    15.00000     6.00000     3.00000  -261.17500  -266.65064  174
 Found four species comparison        mgwa        alpv        anao        neph     9.00000    18.00000     4.50000     3.00000  -259.88151  -266.65064  175
 Found four species comparison        mgwa        mppv        appv        anao     6.00000     6.00000    18.00000     6.00000  -248.94162  -266.65064  176
 Found four species comparison        mgwa        appv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -249.80951  -266.65064  177
 Found four species comparison        mgwa        appv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -249.56392  -266.65064  178
 Found four species comparison        mgwa        appv        anao        ky       9.00000    15.00000     6.00000     3.00000  -251.72108  -266.65064  179
 Found four species comparison        mgwa        appv        anao        neph     9.00000    18.00000     4.50000     3.00000  -248.53681  -266.65064  180
 Found four species comparison        mgwa        anao        mgcf        ky       4.00000     6.00000    10.00000     8.00000  -263.11920  -266.65064  181
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     7.50000     3.00000  -265.24630  -266.65064  182
 Found four species comparison        mgri        en          co          anao     6.00000     3.00000    18.00000     6.00000  -264.08638  -266.65064  183
 Found four species comparison        mgri        en          alpv        anao     6.00000     3.00000    18.00000     6.00000  -260.62796  -266.65064  184
 Found four species comparison        mgri        en          appv        anao     6.00000     3.00000    18.00000     6.00000  -249.28326  -266.65064  185
 Found four species comparison        mgri        mgts        co          anao     6.00000     6.00000    12.00000     6.00000  -263.41343  -266.65064  186
 Found four species comparison        mgri        mgts        alpv        anao     6.00000     6.00000    12.00000     6.00000  -261.10782  -266.65064  187
 Found four species comparison        mgri        mgts        appv        anao     6.00000     6.00000    12.00000     6.00000  -253.54469  -266.65064  188
 Found four species comparison        mgri        cen         co          anao     6.00000     3.00000    18.00000     6.00000  -263.92470  -266.65064  189
 Found four species comparison        mgri        cen         alpv        anao     6.00000     3.00000    18.00000     6.00000  -260.46628  -266.65064  190
 Found four species comparison        mgri        cen         appv        anao     6.00000     3.00000    18.00000     6.00000  -249.12158  -266.65064  191
 Found four species comparison        mgri        jd          co          anao     9.00000     1.50000    18.00000     5.25000  -264.50260  -266.65064  192
 Found four species comparison        mgri        jd          alpv        anao     9.00000     1.50000    18.00000     5.25000  -261.04418  -266.65064  193
 Found four species comparison        mgri        jd          appv        anao     9.00000     1.50000    18.00000     5.25000  -249.69948  -266.65064  194
 Found four species comparison        mgri        mgc2        co          anao     6.00000     3.00000    18.00000     6.00000  -264.12854  -266.65064  195
 Found four species comparison        mgri        mgc2        alpv        anao     6.00000     3.00000    18.00000     6.00000  -260.67013  -266.65064  196
 Found four species comparison        mgri        mgc2        appv        anao     6.00000     3.00000    18.00000     6.00000  -249.32543  -266.65064  197
 Found four species comparison        mgri        mgil        co          anao     6.00000     6.00000    18.00000     6.00000  -264.70414  -266.65064  198
 Found four species comparison        mgri        mgil        alpv        anao     6.00000     6.00000    18.00000     6.00000  -260.51582  -266.65064  199
 Found four species comparison        mgri        mgil        appv        anao     6.00000     6.00000    18.00000     6.00000  -249.17112  -266.65064  200
 Found four species comparison        mgri        co          py          anao     6.00000    16.00000     2.00000     6.00000  -264.85778  -266.65064  201
 Found four species comparison        mgri        co          mgmj        anao     6.00000    18.00000     1.50000     6.00000  -264.08989  -266.65064  202
 Found four species comparison        mgri        co          namj        anao     8.66667    18.66667     0.66667     5.33333  -264.21263  -266.65064  203
 Found four species comparison        mgri        co          qtz         anao     9.00000    18.00000     3.00000     6.00000  -263.38420  -266.65064  204
 Found four species comparison        mgri        co          coes        anao     9.00000    18.00000     3.00000     6.00000  -263.59252  -266.65064  205
 Found four species comparison        mgri        co          st          anao     9.00000    18.00000     3.00000     6.00000  -264.00606  -266.65064  206
 Found four species comparison        mgri        co          apbo        anao     9.00000    18.00000     3.00000     6.00000  -263.69143  -266.65064  207
 Found four species comparison        mgri        co          mgpv        anao     6.00000    18.00000     6.00000     6.00000  -263.73947  -266.65064  208
 Found four species comparison        mgri        co          mppv        anao     6.00000    18.00000     6.00000     6.00000  -262.40161  -266.65064  209
 Found four species comparison        mgri        co          anao        nacf     9.00000    18.00000     4.50000     3.00000  -264.47542  -266.65064  210
 Found four species comparison        mgri        co          anao        nnal     9.00000    18.00000     4.50000     1.00000  -264.22983  -266.65064  211
 Found four species comparison        mgri        co          anao        ky       9.00000    15.00000     6.00000     3.00000  -263.91981  -266.65064  212
 Found four species comparison        mgri        co          anao        neph     9.00000    18.00000     4.50000     3.00000  -263.20273  -266.65064  213
 Found four species comparison        mgri        py          alpv        anao     6.00000     2.00000    16.00000     6.00000  -261.78363  -266.65064  214
 Found four species comparison        mgri        py          appv        anao     6.00000     2.00000    16.00000     6.00000  -251.69946  -266.65064  215
 Found four species comparison        mgri        mgmj        alpv        anao     6.00000     1.50000    18.00000     6.00000  -260.63147  -266.65064  216
 Found four species comparison        mgri        mgmj        appv        anao     6.00000     1.50000    18.00000     6.00000  -249.28677  -266.65064  217
 Found four species comparison        mgri        namj        alpv        anao     8.66667     0.66667    18.66667     5.33333  -260.62613  -266.65064  218
 Found four species comparison        mgri        namj        appv        anao     8.66667     0.66667    18.66667     5.33333  -248.86125  -266.65064  219
 Found four species comparison        mgri        qtz         alpv        anao     9.00000     3.00000    18.00000     6.00000  -259.92578  -266.65064  220
 Found four species comparison        mgri        qtz         appv        anao     9.00000     3.00000    18.00000     6.00000  -248.58108  -266.65064  221
 Found four species comparison        mgri        coes        alpv        anao     9.00000     3.00000    18.00000     6.00000  -260.13411  -266.65064  222
 Found four species comparison        mgri        coes        appv        anao     9.00000     3.00000    18.00000     6.00000  -248.78941  -266.65064  223
 Found four species comparison        mgri        st          alpv        anao     9.00000     3.00000    18.00000     6.00000  -260.54765  -266.65064  224
 Found four species comparison        mgri        st          appv        anao     9.00000     3.00000    18.00000     6.00000  -249.20295  -266.65064  225
 Found four species comparison        mgri        apbo        alpv        anao     9.00000     3.00000    18.00000     6.00000  -260.23301  -266.65064  226
 Found four species comparison        mgri        apbo        appv        anao     9.00000     3.00000    18.00000     6.00000  -248.88831  -266.65064  227
 Found four species comparison        mgri        mgpv        alpv        anao     6.00000     6.00000    18.00000     6.00000  -261.53315  -266.65064  228
 Found four species comparison        mgri        mgpv        appv        anao     6.00000     6.00000    18.00000     6.00000  -248.93636  -266.65064  229
 Found four species comparison        mgri        alpv        mppv        anao     6.00000    18.00000     6.00000     6.00000  -258.94320  -266.65064  230
 Found four species comparison        mgri        alpv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -261.01700  -266.65064  231
 Found four species comparison        mgri        alpv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -260.77142  -266.65064  232
 Found four species comparison        mgri        alpv        anao        ky       9.00000    15.00000     6.00000     3.00000  -261.03779  -266.65064  233
 Found four species comparison        mgri        alpv        anao        neph     9.00000    18.00000     4.50000     3.00000  -259.74431  -266.65064  234
 Found four species comparison        mgri        mppv        appv        anao     6.00000     6.00000    18.00000     6.00000  -248.85015  -266.65064  235
 Found four species comparison        mgri        appv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -249.67230  -266.65064  236
 Found four species comparison        mgri        appv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -249.42672  -266.65064  237
 Found four species comparison        mgri        appv        anao        ky       9.00000    15.00000     6.00000     3.00000  -251.58388  -266.65064  238
 Found four species comparison        mgri        appv        anao        neph     9.00000    18.00000     4.50000     3.00000  -248.39961  -266.65064  239
 Found four species comparison        mgri        anao        mgcf        ky       4.00000     6.00000    10.00000     8.00000  -263.05822  -266.65064  240
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     7.50000     3.00000  -265.22343  -266.65064  241
 Found four species comparison        en          co          pe          anao     6.00000    18.00000     1.50000     6.00000  -264.28150  -266.65064  242
 Found four species comparison        en          co          anao        mgcf     6.00000    12.00000     6.00000     6.00000  -263.73599  -266.65064  243
 Found four species comparison        en          co          anao        mnal     3.00000     6.00000     3.00000     6.00000  -265.12927  -266.65064  244
 Found four species comparison        en          alpv        pe          anao     6.00000    18.00000     1.50000     6.00000  -260.82309  -266.65064  245
 Found four species comparison        en          alpv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -261.43038  -266.65064  246
 Found four species comparison        en          alpv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -263.97647  -266.65064  247
 Found four species comparison        en          appv        pe          anao     6.00000    18.00000     1.50000     6.00000  -249.47839  -266.65064  248
 Found four species comparison        en          appv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -253.86725  -266.65064  249
 Found four species comparison        en          appv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -260.19490  -266.65064  250
 Found four species comparison        en          anao        mgcf        ky       3.00000     6.00000    12.00000     6.00000  -263.05247  -266.65064  251
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     8.00000     2.00000  -265.36586  -266.65064  252
 Found four species comparison        mgts        co          pe          anao    12.00000     6.00000     1.50000     6.00000  -262.93561  -266.65064  253
 Found four species comparison        mgts        alpv        pe          anao    12.00000     6.00000     1.50000     6.00000  -261.78281  -266.65064  254
 Found four species comparison        mgts        appv        pe          anao    12.00000     6.00000     1.50000     6.00000  -258.00124  -266.65064  255
Found three species comparison        mgts        anao        mgcf    12.00000     6.00000     6.00000  -262.39010  -266.65064  256
Found three species comparison        mgts        anao        mnal     6.00000     3.00000     6.00000  -264.45633  -266.65064  257
 Found four species comparison        cen         co          pe          anao     6.00000    18.00000     1.50000     6.00000  -263.95814  -266.65064  258
 Found four species comparison        cen         co          anao        mgcf     6.00000    12.00000     6.00000     6.00000  -263.41263  -266.65064  259
 Found four species comparison        cen         co          anao        mnal     3.00000     6.00000     3.00000     6.00000  -264.96759  -266.65064  260
 Found four species comparison        cen         alpv        pe          anao     6.00000    18.00000     1.50000     6.00000  -260.49973  -266.65064  261
 Found four species comparison        cen         alpv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -261.10702  -266.65064  262
 Found four species comparison        cen         alpv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -263.81479  -266.65064  263
 Found four species comparison        cen         appv        pe          anao     6.00000    18.00000     1.50000     6.00000  -249.15503  -266.65064  264
 Found four species comparison        cen         appv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -253.54389  -266.65064  265
 Found four species comparison        cen         appv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -260.03322  -266.65064  266
 Found four species comparison        cen         anao        mgcf        ky       3.00000     6.00000    12.00000     6.00000  -262.89079  -266.65064  267
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     8.00000     2.00000  -265.31197  -266.65064  268
 Found four species comparison        jd          co          pe          anao     6.00000    18.00000     4.50000     3.00000  -265.52272  -266.65064  269
 Found four species comparison        jd          alpv        pe          anao     6.00000    18.00000     4.50000     3.00000  -262.06431  -266.65064  270
 Found four species comparison        jd          appv        pe          anao     6.00000    18.00000     4.50000     3.00000  -250.71961  -266.65064  271
Found three species comparison        jd          anao        mgcf     6.00000     3.00000    18.00000  -264.70012  -266.65064  272
Found three species comparison        jd          anao        mnal     1.50000     0.75000     9.00000  -266.06695  -266.65064  273
 Found four species comparison        mgc2        co          pe          anao     6.00000    18.00000     1.50000     6.00000  -264.36584  -266.65064  274
 Found four species comparison        mgc2        co          anao        mgcf     6.00000    12.00000     6.00000     6.00000  -263.82033  -266.65064  275
 Found four species comparison        mgc2        co          anao        mnal     3.00000     6.00000     3.00000     6.00000  -265.17144  -266.65064  276
 Found four species comparison        mgc2        alpv        pe          anao     6.00000    18.00000     1.50000     6.00000  -260.90742  -266.65064  277
 Found four species comparison        mgc2        alpv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -261.51472  -266.65064  278
 Found four species comparison        mgc2        alpv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -264.01863  -266.65064  279
 Found four species comparison        mgc2        appv        pe          anao     6.00000    18.00000     1.50000     6.00000  -249.56272  -266.65064  280
 Found four species comparison        mgc2        appv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -253.95158  -266.65064  281
 Found four species comparison        mgc2        appv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -260.23707  -266.65064  282
 Found four species comparison        mgc2        anao        mgcf        ky       3.00000     6.00000    12.00000     6.00000  -263.09464  -266.65064  283
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     8.00000     2.00000  -265.37992  -266.65064  284
 Found four species comparison        mgil        co          pe          anao    12.00000    18.00000     1.50000     6.00000  -265.01693  -266.65064  285
 Found four species comparison        mgil        co          anao        mgcf    12.00000    12.00000     6.00000     6.00000  -264.28333  -266.65064  286
 Found four species comparison        mgil        co          anao        mnal     6.00000     6.00000     3.00000     6.00000  -265.40294  -266.65064  287
 Found four species comparison        mgil        alpv        pe          anao    12.00000    18.00000     1.50000     6.00000  -260.59881  -266.65064  288
 Found four species comparison        mgil        alpv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -261.20611  -266.65064  289
 Found four species comparison        mgil        alpv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -263.86433  -266.65064  290
 Found four species comparison        mgil        appv        pe          anao    12.00000    18.00000     1.50000     6.00000  -249.25411  -266.65064  291
 Found four species comparison        mgil        appv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -253.64297  -266.65064  292
 Found four species comparison        mgil        appv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -260.08276  -266.65064  293
 Found four species comparison        mgil        anao        mgcf        ky       6.00000     6.00000    12.00000     6.00000  -262.94033  -266.65064  294
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     8.00000     2.00000  -265.32848  -266.65064  295
 Found four species comparison        co          py          pe          anao    14.00000     4.00000     1.50000     6.00000  -265.82432  -266.65064  296
 Found four species comparison        co          py          anao        mgcf     8.00000     4.00000     6.00000     6.00000  -265.27880  -266.65064  297
 Found four species comparison        co          py          anao        mnal     4.00000     2.00000     3.00000     6.00000  -265.90068  -266.65064  298
 Found four species comparison        co          mgmj        pe          anao    18.00000     3.00000     1.50000     6.00000  -264.28853  -266.65064  299
 Found four species comparison        co          mgmj        anao        mgcf    12.00000     3.00000     6.00000     6.00000  -263.74302  -266.65064  300
 Found four species comparison        co          mgmj        anao        mnal     6.00000     1.50000     3.00000     6.00000  -265.13279  -266.65064  301
 Found four species comparison        co          namj        pe          anao    20.40000     2.40000     3.90000     3.60000  -264.40719  -266.65064  302
 Found four species comparison        co          namj        anao        mgcf     4.80000     2.40000     3.60000    15.60000  -263.62990  -266.65064  303
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     8.66667  -265.71904  -266.65064  304
 Found four species comparison        co          qtz         pe          anao    18.00000    12.00000     4.50000     6.00000  -261.23802  -266.65064  305
 Found four species comparison        co          coes        pe          anao    18.00000    12.00000     4.50000     6.00000  -262.07133  -266.65064  306
 Found four species comparison        co          st          pe          anao    18.00000    12.00000     4.50000     6.00000  -263.72549  -266.65064  307
 Found four species comparison        co          apbo        pe          anao    18.00000    12.00000     4.50000     6.00000  -262.46694  -266.65064  308
 Found four species comparison        co          mgpv        pe          anao    18.00000    12.00000     1.50000     6.00000  -263.58770  -266.65064  309
 Found four species comparison        co          mgpv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -263.04219  -266.65064  310
 Found four species comparison        co          mgpv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -264.78237  -266.65064  311
 Found four species comparison        co          mppv        pe          anao    18.00000    12.00000     1.50000     6.00000  -260.91198  -266.65064  312
 Found four species comparison        co          mppv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -260.36647  -266.65064  313
 Found four species comparison        co          mppv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -263.44451  -266.65064  314
 Found four species comparison        co          pe          anao        ky       6.00000     4.50000     6.00000    12.00000  -263.38047  -266.65064  315
Found three species comparison        co          pe          nacf    18.00000     4.50000    12.00000  -264.94531  -266.65064  316
Found three species comparison        co          pe          nnal    18.00000     4.50000     4.00000  -263.96296  -266.65064  317
Found three species comparison        co          pe          neph    18.00000     4.50000    12.00000  -259.85454  -266.65064  318
 Found four species comparison        py          alpv        pe          anao     4.00000    14.00000     1.50000     6.00000  -263.13444  -266.65064  319
 Found four species comparison        py          alpv        anao        mgcf     4.00000     8.00000     6.00000     6.00000  -263.74173  -266.65064  320
 Found four species comparison        py          alpv        anao        mnal     2.00000     4.00000     3.00000     6.00000  -265.13214  -266.65064  321
 Found four species comparison        py          appv        pe          anao     4.00000    14.00000     1.50000     6.00000  -254.31078  -266.65064  322
 Found four species comparison        py          appv        anao        mgcf     4.00000     8.00000     6.00000     6.00000  -258.69964  -266.65064  323
 Found four species comparison        py          appv        anao        mnal     2.00000     4.00000     3.00000     6.00000  -262.61110  -266.65064  324
 Found four species comparison        py          anao        mgcf        ky       2.40000     6.00000    10.80000     4.80000  -264.11486  -266.65064  325
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     7.71429     1.71429  -265.66266  -266.65064  326
 Found four species comparison        mgmj        alpv        pe          anao     3.00000    18.00000     1.50000     6.00000  -260.83011  -266.65064  327
 Found four species comparison        mgmj        alpv        anao        mgcf     3.00000    12.00000     6.00000     6.00000  -261.43741  -266.65064  328
 Found four species comparison        mgmj        alpv        anao        mnal     1.50000     6.00000     3.00000     6.00000  -263.97998  -266.65064  329
 Found four species comparison        mgmj        appv        pe          anao     3.00000    18.00000     1.50000     6.00000  -249.48541  -266.65064  330
 Found four species comparison        mgmj        appv        anao        mgcf     3.00000    12.00000     6.00000     6.00000  -253.87428  -266.65064  331
 Found four species comparison        mgmj        appv        anao        mnal     1.50000     6.00000     3.00000     6.00000  -260.19841  -266.65064  332
 Found four species comparison        mgmj        anao        mgcf        ky       1.50000     6.00000    12.00000     6.00000  -263.05599  -266.65064  333
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     8.00000     2.00000  -265.36703  -266.65064  334
 Found four species comparison        namj        alpv        pe          anao     2.40000    20.40000     3.90000     3.60000  -260.48765  -266.65064  335
 Found four species comparison        namj        alpv        anao        mgcf     2.40000     4.80000     3.60000    15.60000  -262.70766  -266.65064  336
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     8.66667  -265.46286  -266.65064  337
 Found four species comparison        namj        appv        pe          anao     2.40000    20.40000     3.90000     3.60000  -247.63032  -266.65064  338
 Found four species comparison        namj        appv        anao        mgcf     2.40000     4.80000     3.60000    15.60000  -259.68240  -266.65064  339
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     8.66667  -264.62251  -266.65064  340
 Found four species comparison        namj        anao        mgcf        ky       1.71429     4.28571    16.28571     3.42857  -263.26963  -266.65064  341
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     8.76923     0.92308  -265.64677  -266.65064  342
 Found four species comparison        qtz         alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -257.77960  -266.65064  343
 Found four species comparison        qtz         appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -246.43490  -266.65064  344
Found three species comparison        qtz         anao        mgcf    12.00000     6.00000    18.00000  -260.22650  -266.65064  345
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     9.00000  -264.94854  -266.65064  346
 Found four species comparison        coes        alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -258.61291  -266.65064  347
 Found four species comparison        coes        appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -247.26821  -266.65064  348
Found three species comparison        coes        anao        mgcf    12.00000     6.00000    18.00000  -261.05981  -266.65064  349
Found three species comparison        coes        anao        mnal     3.00000     1.50000     9.00000  -265.15687  -266.65064  350
 Found four species comparison        st          alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -260.26707  -266.65064  351
 Found four species comparison        st          appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -248.92237  -266.65064  352
Found three species comparison        st          anao        mgcf    12.00000     6.00000    18.00000  -262.71397  -266.65064  353
Found three species comparison        st          anao        mnal     3.00000     1.50000     9.00000  -265.57041  -266.65064  354
 Found four species comparison        apbo        alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -259.00852  -266.65064  355
 Found four species comparison        apbo        appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -247.66382  -266.65064  356
Found three species comparison        apbo        anao        mgcf    12.00000     6.00000    18.00000  -261.45543  -266.65064  357
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     9.00000  -265.25577  -266.65064  358
 Found four species comparison        mgpv        alpv        pe          anao    12.00000    18.00000     1.50000     6.00000  -261.92449  -266.65064  359
 Found four species comparison        mgpv        alpv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -262.20444  -266.65064  360
 Found four species comparison        mgpv        alpv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -264.36350  -266.65064  361
 Found four species comparison        mgpv        appv        pe          anao    12.00000    18.00000     1.50000     6.00000  -248.78458  -266.65064  362
 Found four species comparison        mgpv        appv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -253.17344  -266.65064  363
 Found four species comparison        mgpv        appv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -259.84800  -266.65064  364
 Found four species comparison        mgpv        anao        mgcf        ky       6.00000     6.00000    12.00000     6.00000  -262.70557  -266.65064  365
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     8.00000     2.00000  -265.25023  -266.65064  366
 Found four species comparison        alpv        mppv        pe          anao    18.00000    12.00000     1.50000     6.00000  -257.45356  -266.65064  367
 Found four species comparison        alpv        mppv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -258.06086  -266.65064  368
 Found four species comparison        alpv        mppv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -262.29171  -266.65064  369
 Found four species comparison        alpv        pe          anao        ky       6.00000     4.50000     6.00000    12.00000  -262.22766  -266.65064  370
Found three species comparison        alpv        pe          nacf    18.00000     4.50000    12.00000  -261.48689  -266.65064  371
Found three species comparison        alpv        pe          nnal    18.00000     4.50000     4.00000  -260.50455  -266.65064  372
Found three species comparison        alpv        pe          neph    18.00000     4.50000    12.00000  -256.39612  -266.65064  373
 Found four species comparison        mppv        appv        pe          anao    12.00000    18.00000     1.50000     6.00000  -247.90338  -266.65064  374
 Found four species comparison        mppv        appv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -251.96501  -266.65064  375
 Found four species comparison        mppv        appv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -259.24378  -266.65064  376
 Found four species comparison        mppv        anao        mgcf        ky       6.00000     6.00000    12.00000     6.00000  -261.36771  -266.65064  377
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     8.00000     2.00000  -264.80427  -266.65064  378
 Found four species comparison        appv        pe          anao        ky       6.00000     4.50000     6.00000    12.00000  -258.44609  -266.65064  379
Found three species comparison        appv        pe          nacf    18.00000     4.50000    12.00000  -250.14219  -266.65064  380
Found three species comparison        appv        pe          nnal    18.00000     4.50000     4.00000  -249.15985  -266.65064  381
Found three species comparison        appv        pe          neph    18.00000     4.50000    12.00000  -245.05142  -266.65064  382
 Found four species comparison        pe          anao        mgcf        ky       3.00000     6.00000     6.00000    12.00000  -263.16131  -266.65064  383
 Found four species comparison        pe          anao        mnal        ky       1.50000     3.00000     6.00000     6.00000  -264.84193  -266.65064  384
  Found two species comparison        mgcf        nacf    18.00000    12.00000  -266.15558  -266.65064  385
  Found two species comparison        mgcf        nnal    18.00000     4.00000  -263.60905  -266.65064  386
  Found two species comparison        mgcf        neph    18.00000    12.00000  -259.50062  -266.65064  387
  Found two species comparison        nacf        mnal     3.00000     9.00000  -266.03976  -266.65064  388
  Found two species comparison        mnal        nnal     9.00000     1.00000  -266.65064  -266.65064  389
  Found two species comparison        mnal        neph     9.00000     3.00000  -264.76707  -266.65064  390
 332 mnalnnal          12.00  18.00   0.00   0.00  48.00  12.00 120.00
Number of non-zero components,phases,Gapp    5    1      -254.02451        19.00000      1873.00000
Found three species comparison        ab          sp          anao     4.00000     4.50000     4.00000  -247.20244  -254.02451    1
 Found four species comparison        ab          fo          co          anao     1.00000     9.00000    18.00000     5.50000  -249.99719  -254.02451    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     9.00000    18.00000     5.50000  -246.63217  -254.02451    3
 Found four species comparison        ab          fo          appv        anao     1.00000     9.00000    18.00000     5.50000  -235.45304  -254.02451    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     9.00000    18.00000     5.50000  -250.36952  -254.02451    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     9.00000    18.00000     5.50000  -247.00451  -254.02451    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     9.00000    18.00000     5.50000  -235.82537  -254.02451    7
 Found four species comparison        ab          mgri        co          anao     1.00000     9.00000    18.00000     5.50000  -250.32619  -254.02451    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     9.00000    18.00000     5.50000  -246.96117  -254.02451    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     9.00000    18.00000     5.50000  -235.78204  -254.02451   10
 Found four species comparison        ab          co          pe          anao     4.00000    18.00000     4.50000     4.00000  -247.83130  -254.02451   11
 Found four species comparison        ab          alpv        pe          anao     4.00000    18.00000     4.50000     4.00000  -244.46628  -254.02451   12
 Found four species comparison        ab          appv        pe          anao     4.00000    18.00000     4.50000     4.00000  -233.28715  -254.02451   13
Found three species comparison        ab          anao        mgcf     4.00000     4.00000    18.00000  -247.02736  -254.02451   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     9.00000  -252.16107  -254.02451   15
 Found four species comparison        sp          fo          anao        ky       2.50000     4.00000     6.00000     8.00000  -250.00380  -254.02451   16
 Found four species comparison        sp          mgwa        anao        ky       2.50000     4.00000     6.00000     8.00000  -250.16928  -254.02451   17
 Found four species comparison        sp          mgri        anao        ky       2.50000     4.00000     6.00000     8.00000  -250.15002  -254.02451   18
 Found four species comparison        sp          en          co          anao     1.50000     6.00000    12.00000     6.00000  -250.58512  -254.02451   19
 Found four species comparison        sp          en          alpv        anao     1.50000     6.00000    12.00000     6.00000  -248.34177  -254.02451   20
 Found four species comparison        sp          en          appv        anao     1.50000     6.00000    12.00000     6.00000  -240.88902  -254.02451   21
 Found four species comparison        sp          en          anao        ky       3.00000     3.00000     6.00000     6.00000  -250.06321  -254.02451   22
Found three species comparison        sp          mgts        anao     1.50000    12.00000     6.00000  -249.15676  -254.02451   23
 Found four species comparison        sp          cen         co          anao     1.50000     6.00000    12.00000     6.00000  -250.22451  -254.02451   24
 Found four species comparison        sp          cen         alpv        anao     1.50000     6.00000    12.00000     6.00000  -247.98116  -254.02451   25
 Found four species comparison        sp          cen         appv        anao     1.50000     6.00000    12.00000     6.00000  -240.52840  -254.02451   26
 Found four species comparison        sp          cen         anao        ky       3.00000     3.00000     6.00000     6.00000  -249.88291  -254.02451   27
Found three species comparison        sp          jd          anao     4.50000     6.00000     3.00000  -251.78421  -254.02451   28
 Found four species comparison        sp          mgc2        co          anao     1.50000     6.00000    12.00000     6.00000  -250.70371  -254.02451   29
 Found four species comparison        sp          mgc2        alpv        anao     1.50000     6.00000    12.00000     6.00000  -248.46037  -254.02451   30
 Found four species comparison        sp          mgc2        appv        anao     1.50000     6.00000    12.00000     6.00000  -241.00761  -254.02451   31
 Found four species comparison        sp          mgc2        anao        ky       3.00000     3.00000     6.00000     6.00000  -250.12251  -254.02451   32
 Found four species comparison        sp          mgil        co          anao     1.50000    12.00000    12.00000     6.00000  -251.59328  -254.02451   33
 Found four species comparison        sp          mgil        alpv        anao     1.50000    12.00000    12.00000     6.00000  -248.57832  -254.02451   34
 Found four species comparison        sp          mgil        appv        anao     1.50000    12.00000    12.00000     6.00000  -241.12556  -254.02451   35
 Found four species comparison        sp          mgil        anao        ky       3.00000     6.00000     6.00000     6.00000  -250.18149  -254.02451   36
 Found four species comparison        sp          co          py          anao     1.50000     8.00000     4.00000     6.00000  -252.29985  -254.02451   37
 Found four species comparison        sp          co          mgmj        anao     1.50000    12.00000     3.00000     6.00000  -250.82428  -254.02451   38
 Found four species comparison        sp          co          namj        anao     3.90000     4.80000     2.40000     3.60000  -250.96941  -254.02451   39
 Found four species comparison        sp          co          mgpv        anao     1.50000    12.00000    12.00000     6.00000  -250.55024  -254.02451   40
 Found four species comparison        sp          co          mppv        anao     1.50000    12.00000    12.00000     6.00000  -247.97271  -254.02451   41
 Found four species comparison        sp          py          alpv        anao     1.50000     4.00000     8.00000     6.00000  -250.80428  -254.02451   42
 Found four species comparison        sp          py          appv        anao     1.50000     4.00000     8.00000     6.00000  -245.83578  -254.02451   43
 Found four species comparison        sp          py          anao        ky       2.70000     2.40000     6.00000     4.80000  -251.19643  -254.02451   44
 Found four species comparison        sp          mgmj        alpv        anao     1.50000     3.00000    12.00000     6.00000  -248.58093  -254.02451   45
 Found four species comparison        sp          mgmj        appv        anao     1.50000     3.00000    12.00000     6.00000  -241.12817  -254.02451   46
 Found four species comparison        sp          mgmj        anao        ky       3.00000     1.50000     6.00000     6.00000  -250.18279  -254.02451   47
 Found four species comparison        sp          namj        alpv        anao     3.90000     2.40000     4.80000     3.60000  -250.07207  -254.02451   48
 Found four species comparison        sp          namj        appv        anao     3.90000     2.40000     4.80000     3.60000  -247.09096  -254.02451   49
 Found four species comparison        sp          namj        anao        ky       4.07143     1.71429     4.28571     3.42857  -250.56138  -254.02451   50
Found three species comparison        sp          qtz         anao     4.50000    12.00000     6.00000  -247.11930  -254.02451   51
Found three species comparison        sp          coes        anao     4.50000    12.00000     6.00000  -248.02948  -254.02451   52
Found three species comparison        sp          st          anao     4.50000    12.00000     6.00000  -250.30991  -254.02451   53
Found three species comparison        sp          apbo        anao     4.50000    12.00000     6.00000  -249.09627  -254.02451   54
 Found four species comparison        sp          mgpv        alpv        anao     1.50000    12.00000    12.00000     6.00000  -249.77476  -254.02451   55
 Found four species comparison        sp          mgpv        appv        anao     1.50000    12.00000    12.00000     6.00000  -240.85414  -254.02451   56
 Found four species comparison        sp          mgpv        anao        ky       3.00000     6.00000     6.00000     6.00000  -250.04577  -254.02451   57
 Found four species comparison        sp          alpv        mppv        anao     1.50000    12.00000    12.00000     6.00000  -245.72937  -254.02451   58
 Found four species comparison        sp          mppv        appv        anao     1.50000    12.00000    12.00000     6.00000  -239.74390  -254.02451   59
 Found four species comparison        sp          mppv        anao        ky       3.00000     6.00000     6.00000     6.00000  -248.75701  -254.02451   60
 Found four species comparison        sp          pe          anao        ky       1.50000     3.00000     6.00000    12.00000  -250.16149  -254.02451   61
  Found two species comparison        sp          nacf     4.50000    12.00000  -252.20277  -254.02451   62
  Found two species comparison        sp          nnal     4.50000     4.00000  -251.23035  -254.02451   63
  Found two species comparison        sp          neph     4.50000    12.00000  -245.67165  -254.02451   64
 Found four species comparison        fo          en          co          anao     6.00000     3.00000    18.00000     6.00000  -250.75695  -254.02451   65
 Found four species comparison        fo          en          alpv        anao     6.00000     3.00000    18.00000     6.00000  -247.39193  -254.02451   66
 Found four species comparison        fo          en          appv        anao     6.00000     3.00000    18.00000     6.00000  -236.21279  -254.02451   67
 Found four species comparison        fo          mgts        co          anao     6.00000     6.00000    12.00000     6.00000  -250.04277  -254.02451   68
 Found four species comparison        fo          mgts        alpv        anao     6.00000     6.00000    12.00000     6.00000  -247.79942  -254.02451   69
 Found four species comparison        fo          mgts        appv        anao     6.00000     6.00000    12.00000     6.00000  -240.34666  -254.02451   70
 Found four species comparison        fo          cen         co          anao     6.00000     3.00000    18.00000     6.00000  -250.57664  -254.02451   71
 Found four species comparison        fo          cen         alpv        anao     6.00000     3.00000    18.00000     6.00000  -247.21162  -254.02451   72
 Found four species comparison        fo          cen         appv        anao     6.00000     3.00000    18.00000     6.00000  -236.03249  -254.02451   73
 Found four species comparison        fo          jd          co          anao     9.00000     1.50000    18.00000     5.25000  -251.14263  -254.02451   74
 Found four species comparison        fo          jd          alpv        anao     9.00000     1.50000    18.00000     5.25000  -247.77762  -254.02451   75
 Found four species comparison        fo          jd          appv        anao     9.00000     1.50000    18.00000     5.25000  -236.59848  -254.02451   76
 Found four species comparison        fo          mgc2        co          anao     6.00000     3.00000    18.00000     6.00000  -250.81624  -254.02451   77
 Found four species comparison        fo          mgc2        alpv        anao     6.00000     3.00000    18.00000     6.00000  -247.45123  -254.02451   78
 Found four species comparison        fo          mgc2        appv        anao     6.00000     3.00000    18.00000     6.00000  -236.27209  -254.02451   79
 Found four species comparison        fo          mgil        co          anao     6.00000     6.00000    18.00000     6.00000  -251.60512  -254.02451   80
 Found four species comparison        fo          mgil        alpv        anao     6.00000     6.00000    18.00000     6.00000  -247.51020  -254.02451   81
 Found four species comparison        fo          mgil        appv        anao     6.00000     6.00000    18.00000     6.00000  -236.33107  -254.02451   82
 Found four species comparison        fo          co          py          anao     6.00000    16.00000     2.00000     6.00000  -251.61431  -254.02451   83
 Found four species comparison        fo          co          mgmj        anao     6.00000    18.00000     1.50000     6.00000  -250.87653  -254.02451   84
 Found four species comparison        fo          co          namj        anao     8.66667    18.66667     0.66667     5.33333  -250.94006  -254.02451   85
 Found four species comparison        fo          co          qtz         anao     9.00000    18.00000     3.00000     6.00000  -249.97641  -254.02451   86
 Found four species comparison        fo          co          coes        anao     9.00000    18.00000     3.00000     6.00000  -250.20395  -254.02451   87
 Found four species comparison        fo          co          st          anao     9.00000    18.00000     3.00000     6.00000  -250.77406  -254.02451   88
 Found four species comparison        fo          co          apbo        anao     9.00000    18.00000     3.00000     6.00000  -250.47065  -254.02451   89
 Found four species comparison        fo          co          mgpv        anao     6.00000    18.00000     6.00000     6.00000  -250.73951  -254.02451   90
 Found four species comparison        fo          co          mppv        anao     6.00000    18.00000     6.00000     6.00000  -249.45074  -254.02451   91
 Found four species comparison        fo          co          anao        nacf     9.00000    18.00000     4.50000     3.00000  -251.24727  -254.02451   92
 Found four species comparison        fo          co          anao        nnal     9.00000    18.00000     4.50000     1.00000  -251.00417  -254.02451   93
 Found four species comparison        fo          co          anao        ky       9.00000    15.00000     6.00000     3.00000  -250.58191  -254.02451   94
 Found four species comparison        fo          co          anao        neph     9.00000    18.00000     4.50000     3.00000  -249.61450  -254.02451   95
 Found four species comparison        fo          py          alpv        anao     6.00000     2.00000    16.00000     6.00000  -248.62318  -254.02451   96
 Found four species comparison        fo          py          appv        anao     6.00000     2.00000    16.00000     6.00000  -238.68617  -254.02451   97
 Found four species comparison        fo          mgmj        alpv        anao     6.00000     1.50000    18.00000     6.00000  -247.51151  -254.02451   98
 Found four species comparison        fo          mgmj        appv        anao     6.00000     1.50000    18.00000     6.00000  -236.33237  -254.02451   99
 Found four species comparison        fo          namj        alpv        anao     8.66667     0.66667    18.66667     5.33333  -247.45041  -254.02451  100
 Found four species comparison        fo          namj        appv        anao     8.66667     0.66667    18.66667     5.33333  -235.85723  -254.02451  101
 Found four species comparison        fo          qtz         alpv        anao     9.00000     3.00000    18.00000     6.00000  -246.61139  -254.02451  102
 Found four species comparison        fo          qtz         appv        anao     9.00000     3.00000    18.00000     6.00000  -235.43225  -254.02451  103
 Found four species comparison        fo          coes        alpv        anao     9.00000     3.00000    18.00000     6.00000  -246.83893  -254.02451  104
 Found four species comparison        fo          coes        appv        anao     9.00000     3.00000    18.00000     6.00000  -235.65980  -254.02451  105
 Found four species comparison        fo          st          alpv        anao     9.00000     3.00000    18.00000     6.00000  -247.40904  -254.02451  106
 Found four species comparison        fo          st          appv        anao     9.00000     3.00000    18.00000     6.00000  -236.22990  -254.02451  107
 Found four species comparison        fo          apbo        alpv        anao     9.00000     3.00000    18.00000     6.00000  -247.10563  -254.02451  108
 Found four species comparison        fo          apbo        appv        anao     9.00000     3.00000    18.00000     6.00000  -235.92649  -254.02451  109
 Found four species comparison        fo          mgpv        alpv        anao     6.00000     6.00000    18.00000     6.00000  -248.62658  -254.02451  110
 Found four species comparison        fo          mgpv        appv        anao     6.00000     6.00000    18.00000     6.00000  -236.19535  -254.02451  111
 Found four species comparison        fo          alpv        mppv        anao     6.00000    18.00000     6.00000     6.00000  -246.08573  -254.02451  112
 Found four species comparison        fo          alpv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -247.88226  -254.02451  113
 Found four species comparison        fo          alpv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -247.63915  -254.02451  114
 Found four species comparison        fo          alpv        anao        ky       9.00000    15.00000     6.00000     3.00000  -247.77773  -254.02451  115
 Found four species comparison        fo          alpv        anao        neph     9.00000    18.00000     4.50000     3.00000  -246.24948  -254.02451  116
 Found four species comparison        fo          mppv        appv        anao     6.00000     6.00000    18.00000     6.00000  -236.15825  -254.02451  117
 Found four species comparison        fo          appv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -236.70312  -254.02451  118
 Found four species comparison        fo          appv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -236.46001  -254.02451  119
 Found four species comparison        fo          appv        anao        ky       9.00000    15.00000     6.00000     3.00000  -238.46178  -254.02451  120
 Found four species comparison        fo          appv        anao        neph     9.00000    18.00000     4.50000     3.00000  -235.07034  -254.02451  121
 Found four species comparison        fo          anao        mgcf        ky       4.00000     6.00000    10.00000     8.00000  -249.90653  -254.02451  122
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     7.50000     3.00000  -252.38514  -254.02451  123
 Found four species comparison        mgwa        en          co          anao     6.00000     3.00000    18.00000     6.00000  -251.00517  -254.02451  124
 Found four species comparison        mgwa        en          alpv        anao     6.00000     3.00000    18.00000     6.00000  -247.64015  -254.02451  125
 Found four species comparison        mgwa        en          appv        anao     6.00000     3.00000    18.00000     6.00000  -236.46101  -254.02451  126
 Found four species comparison        mgwa        mgts        co          anao     6.00000     6.00000    12.00000     6.00000  -250.29099  -254.02451  127
 Found four species comparison        mgwa        mgts        alpv        anao     6.00000     6.00000    12.00000     6.00000  -248.04764  -254.02451  128
 Found four species comparison        mgwa        mgts        appv        anao     6.00000     6.00000    12.00000     6.00000  -240.59489  -254.02451  129
 Found four species comparison        mgwa        cen         co          anao     6.00000     3.00000    18.00000     6.00000  -250.82486  -254.02451  130
 Found four species comparison        mgwa        cen         alpv        anao     6.00000     3.00000    18.00000     6.00000  -247.45984  -254.02451  131
 Found four species comparison        mgwa        cen         appv        anao     6.00000     3.00000    18.00000     6.00000  -236.28071  -254.02451  132
 Found four species comparison        mgwa        jd          co          anao     9.00000     1.50000    18.00000     5.25000  -251.51497  -254.02451  133
 Found four species comparison        mgwa        jd          alpv        anao     9.00000     1.50000    18.00000     5.25000  -248.14995  -254.02451  134
 Found four species comparison        mgwa        jd          appv        anao     9.00000     1.50000    18.00000     5.25000  -236.97081  -254.02451  135
 Found four species comparison        mgwa        mgc2        co          anao     6.00000     3.00000    18.00000     6.00000  -251.06446  -254.02451  136
 Found four species comparison        mgwa        mgc2        alpv        anao     6.00000     3.00000    18.00000     6.00000  -247.69945  -254.02451  137
 Found four species comparison        mgwa        mgc2        appv        anao     6.00000     3.00000    18.00000     6.00000  -236.52031  -254.02451  138
 Found four species comparison        mgwa        mgil        co          anao     6.00000     6.00000    18.00000     6.00000  -251.85334  -254.02451  139
 Found four species comparison        mgwa        mgil        alpv        anao     6.00000     6.00000    18.00000     6.00000  -247.75842  -254.02451  140
 Found four species comparison        mgwa        mgil        appv        anao     6.00000     6.00000    18.00000     6.00000  -236.57929  -254.02451  141
 Found four species comparison        mgwa        co          py          anao     6.00000    16.00000     2.00000     6.00000  -251.86253  -254.02451  142
 Found four species comparison        mgwa        co          mgmj        anao     6.00000    18.00000     1.50000     6.00000  -251.12475  -254.02451  143
 Found four species comparison        mgwa        co          namj        anao     8.66667    18.66667     0.66667     5.33333  -251.29860  -254.02451  144
 Found four species comparison        mgwa        co          qtz         anao     9.00000    18.00000     3.00000     6.00000  -250.34874  -254.02451  145
 Found four species comparison        mgwa        co          coes        anao     9.00000    18.00000     3.00000     6.00000  -250.57628  -254.02451  146
 Found four species comparison        mgwa        co          st          anao     9.00000    18.00000     3.00000     6.00000  -251.14639  -254.02451  147
 Found four species comparison        mgwa        co          apbo        anao     9.00000    18.00000     3.00000     6.00000  -250.84298  -254.02451  148
 Found four species comparison        mgwa        co          mgpv        anao     6.00000    18.00000     6.00000     6.00000  -250.98773  -254.02451  149
 Found four species comparison        mgwa        co          mppv        anao     6.00000    18.00000     6.00000     6.00000  -249.69897  -254.02451  150
 Found four species comparison        mgwa        co          anao        nacf     9.00000    18.00000     4.50000     3.00000  -251.61961  -254.02451  151
 Found four species comparison        mgwa        co          anao        nnal     9.00000    18.00000     4.50000     1.00000  -251.37650  -254.02451  152
 Found four species comparison        mgwa        co          anao        ky       9.00000    15.00000     6.00000     3.00000  -250.95424  -254.02451  153
 Found four species comparison        mgwa        co          anao        neph     9.00000    18.00000     4.50000     3.00000  -249.98683  -254.02451  154
 Found four species comparison        mgwa        py          alpv        anao     6.00000     2.00000    16.00000     6.00000  -248.87141  -254.02451  155
 Found four species comparison        mgwa        py          appv        anao     6.00000     2.00000    16.00000     6.00000  -238.93439  -254.02451  156
 Found four species comparison        mgwa        mgmj        alpv        anao     6.00000     1.50000    18.00000     6.00000  -247.75973  -254.02451  157
 Found four species comparison        mgwa        mgmj        appv        anao     6.00000     1.50000    18.00000     6.00000  -236.58059  -254.02451  158
 Found four species comparison        mgwa        namj        alpv        anao     8.66667     0.66667    18.66667     5.33333  -247.80896  -254.02451  159
 Found four species comparison        mgwa        namj        appv        anao     8.66667     0.66667    18.66667     5.33333  -236.21578  -254.02451  160
 Found four species comparison        mgwa        qtz         alpv        anao     9.00000     3.00000    18.00000     6.00000  -246.98372  -254.02451  161
 Found four species comparison        mgwa        qtz         appv        anao     9.00000     3.00000    18.00000     6.00000  -235.80458  -254.02451  162
 Found four species comparison        mgwa        coes        alpv        anao     9.00000     3.00000    18.00000     6.00000  -247.21127  -254.02451  163
 Found four species comparison        mgwa        coes        appv        anao     9.00000     3.00000    18.00000     6.00000  -236.03213  -254.02451  164
 Found four species comparison        mgwa        st          alpv        anao     9.00000     3.00000    18.00000     6.00000  -247.78137  -254.02451  165
 Found four species comparison        mgwa        st          appv        anao     9.00000     3.00000    18.00000     6.00000  -236.60224  -254.02451  166
 Found four species comparison        mgwa        apbo        alpv        anao     9.00000     3.00000    18.00000     6.00000  -247.47796  -254.02451  167
 Found four species comparison        mgwa        apbo        appv        anao     9.00000     3.00000    18.00000     6.00000  -236.29883  -254.02451  168
 Found four species comparison        mgwa        mgpv        alpv        anao     6.00000     6.00000    18.00000     6.00000  -248.87480  -254.02451  169
 Found four species comparison        mgwa        mgpv        appv        anao     6.00000     6.00000    18.00000     6.00000  -236.44357  -254.02451  170
 Found four species comparison        mgwa        alpv        mppv        anao     6.00000    18.00000     6.00000     6.00000  -246.33395  -254.02451  171
 Found four species comparison        mgwa        alpv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -248.25459  -254.02451  172
 Found four species comparison        mgwa        alpv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -248.01148  -254.02451  173
 Found four species comparison        mgwa        alpv        anao        ky       9.00000    15.00000     6.00000     3.00000  -248.15006  -254.02451  174
 Found four species comparison        mgwa        alpv        anao        neph     9.00000    18.00000     4.50000     3.00000  -246.62181  -254.02451  175
 Found four species comparison        mgwa        mppv        appv        anao     6.00000     6.00000    18.00000     6.00000  -236.40647  -254.02451  176
 Found four species comparison        mgwa        appv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -237.07545  -254.02451  177
 Found four species comparison        mgwa        appv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -236.83234  -254.02451  178
 Found four species comparison        mgwa        appv        anao        ky       9.00000    15.00000     6.00000     3.00000  -238.83411  -254.02451  179
 Found four species comparison        mgwa        appv        anao        neph     9.00000    18.00000     4.50000     3.00000  -235.44267  -254.02451  180
 Found four species comparison        mgwa        anao        mgcf        ky       4.00000     6.00000    10.00000     8.00000  -250.07201  -254.02451  181
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     7.50000     3.00000  -252.44719  -254.02451  182
 Found four species comparison        mgri        en          co          anao     6.00000     3.00000    18.00000     6.00000  -250.97628  -254.02451  183
 Found four species comparison        mgri        en          alpv        anao     6.00000     3.00000    18.00000     6.00000  -247.61126  -254.02451  184
 Found four species comparison        mgri        en          appv        anao     6.00000     3.00000    18.00000     6.00000  -236.43213  -254.02451  185
 Found four species comparison        mgri        mgts        co          anao     6.00000     6.00000    12.00000     6.00000  -250.26210  -254.02451  186
 Found four species comparison        mgri        mgts        alpv        anao     6.00000     6.00000    12.00000     6.00000  -248.01876  -254.02451  187
 Found four species comparison        mgri        mgts        appv        anao     6.00000     6.00000    12.00000     6.00000  -240.56600  -254.02451  188
 Found four species comparison        mgri        cen         co          anao     6.00000     3.00000    18.00000     6.00000  -250.79597  -254.02451  189
 Found four species comparison        mgri        cen         alpv        anao     6.00000     3.00000    18.00000     6.00000  -247.43096  -254.02451  190
 Found four species comparison        mgri        cen         appv        anao     6.00000     3.00000    18.00000     6.00000  -236.25182  -254.02451  191
 Found four species comparison        mgri        jd          co          anao     9.00000     1.50000    18.00000     5.25000  -251.47163  -254.02451  192
 Found four species comparison        mgri        jd          alpv        anao     9.00000     1.50000    18.00000     5.25000  -248.10662  -254.02451  193
 Found four species comparison        mgri        jd          appv        anao     9.00000     1.50000    18.00000     5.25000  -236.92748  -254.02451  194
 Found four species comparison        mgri        mgc2        co          anao     6.00000     3.00000    18.00000     6.00000  -251.03558  -254.02451  195
 Found four species comparison        mgri        mgc2        alpv        anao     6.00000     3.00000    18.00000     6.00000  -247.67056  -254.02451  196
 Found four species comparison        mgri        mgc2        appv        anao     6.00000     3.00000    18.00000     6.00000  -236.49142  -254.02451  197
 Found four species comparison        mgri        mgil        co          anao     6.00000     6.00000    18.00000     6.00000  -251.82445  -254.02451  198
 Found four species comparison        mgri        mgil        alpv        anao     6.00000     6.00000    18.00000     6.00000  -247.72954  -254.02451  199
 Found four species comparison        mgri        mgil        appv        anao     6.00000     6.00000    18.00000     6.00000  -236.55040  -254.02451  200
 Found four species comparison        mgri        co          py          anao     6.00000    16.00000     2.00000     6.00000  -251.83364  -254.02451  201
 Found four species comparison        mgri        co          mgmj        anao     6.00000    18.00000     1.50000     6.00000  -251.09586  -254.02451  202
 Found four species comparison        mgri        co          namj        anao     8.66667    18.66667     0.66667     5.33333  -251.25688  -254.02451  203
 Found four species comparison        mgri        co          qtz         anao     9.00000    18.00000     3.00000     6.00000  -250.30541  -254.02451  204
 Found four species comparison        mgri        co          coes        anao     9.00000    18.00000     3.00000     6.00000  -250.53295  -254.02451  205
 Found four species comparison        mgri        co          st          anao     9.00000    18.00000     3.00000     6.00000  -251.10306  -254.02451  206
 Found four species comparison        mgri        co          apbo        anao     9.00000    18.00000     3.00000     6.00000  -250.79965  -254.02451  207
 Found four species comparison        mgri        co          mgpv        anao     6.00000    18.00000     6.00000     6.00000  -250.95884  -254.02451  208
 Found four species comparison        mgri        co          mppv        anao     6.00000    18.00000     6.00000     6.00000  -249.67008  -254.02451  209
 Found four species comparison        mgri        co          anao        nacf     9.00000    18.00000     4.50000     3.00000  -251.57627  -254.02451  210
 Found four species comparison        mgri        co          anao        nnal     9.00000    18.00000     4.50000     1.00000  -251.33317  -254.02451  211
 Found four species comparison        mgri        co          anao        ky       9.00000    15.00000     6.00000     3.00000  -250.91091  -254.02451  212
 Found four species comparison        mgri        co          anao        neph     9.00000    18.00000     4.50000     3.00000  -249.94350  -254.02451  213
 Found four species comparison        mgri        py          alpv        anao     6.00000     2.00000    16.00000     6.00000  -248.84252  -254.02451  214
 Found four species comparison        mgri        py          appv        anao     6.00000     2.00000    16.00000     6.00000  -238.90551  -254.02451  215
 Found four species comparison        mgri        mgmj        alpv        anao     6.00000     1.50000    18.00000     6.00000  -247.73084  -254.02451  216
 Found four species comparison        mgri        mgmj        appv        anao     6.00000     1.50000    18.00000     6.00000  -236.55170  -254.02451  217
 Found four species comparison        mgri        namj        alpv        anao     8.66667     0.66667    18.66667     5.33333  -247.76723  -254.02451  218
 Found four species comparison        mgri        namj        appv        anao     8.66667     0.66667    18.66667     5.33333  -236.17405  -254.02451  219
 Found four species comparison        mgri        qtz         alpv        anao     9.00000     3.00000    18.00000     6.00000  -246.94039  -254.02451  220
 Found four species comparison        mgri        qtz         appv        anao     9.00000     3.00000    18.00000     6.00000  -235.76125  -254.02451  221
 Found four species comparison        mgri        coes        alpv        anao     9.00000     3.00000    18.00000     6.00000  -247.16793  -254.02451  222
 Found four species comparison        mgri        coes        appv        anao     9.00000     3.00000    18.00000     6.00000  -235.98880  -254.02451  223
 Found four species comparison        mgri        st          alpv        anao     9.00000     3.00000    18.00000     6.00000  -247.73804  -254.02451  224
 Found four species comparison        mgri        st          appv        anao     9.00000     3.00000    18.00000     6.00000  -236.55890  -254.02451  225
 Found four species comparison        mgri        apbo        alpv        anao     9.00000     3.00000    18.00000     6.00000  -247.43463  -254.02451  226
 Found four species comparison        mgri        apbo        appv        anao     9.00000     3.00000    18.00000     6.00000  -236.25549  -254.02451  227
 Found four species comparison        mgri        mgpv        alpv        anao     6.00000     6.00000    18.00000     6.00000  -248.84591  -254.02451  228
 Found four species comparison        mgri        mgpv        appv        anao     6.00000     6.00000    18.00000     6.00000  -236.41469  -254.02451  229
 Found four species comparison        mgri        alpv        mppv        anao     6.00000    18.00000     6.00000     6.00000  -246.30506  -254.02451  230
 Found four species comparison        mgri        alpv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -248.21126  -254.02451  231
 Found four species comparison        mgri        alpv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -247.96815  -254.02451  232
 Found four species comparison        mgri        alpv        anao        ky       9.00000    15.00000     6.00000     3.00000  -248.10673  -254.02451  233
 Found four species comparison        mgri        alpv        anao        neph     9.00000    18.00000     4.50000     3.00000  -246.57848  -254.02451  234
 Found four species comparison        mgri        mppv        appv        anao     6.00000     6.00000    18.00000     6.00000  -236.37758  -254.02451  235
 Found four species comparison        mgri        appv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -237.03212  -254.02451  236
 Found four species comparison        mgri        appv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -236.78901  -254.02451  237
 Found four species comparison        mgri        appv        anao        ky       9.00000    15.00000     6.00000     3.00000  -238.79078  -254.02451  238
 Found four species comparison        mgri        appv        anao        neph     9.00000    18.00000     4.50000     3.00000  -235.39934  -254.02451  239
 Found four species comparison        mgri        anao        mgcf        ky       4.00000     6.00000    10.00000     8.00000  -250.05275  -254.02451  240
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     7.50000     3.00000  -252.43997  -254.02451  241
 Found four species comparison        en          co          pe          anao     6.00000    18.00000     1.50000     6.00000  -251.04454  -254.02451  242
 Found four species comparison        en          co          anao        mgcf     6.00000    12.00000     6.00000     6.00000  -250.52676  -254.02451  243
 Found four species comparison        en          co          anao        mnal     3.00000     6.00000     3.00000     6.00000  -252.19953  -254.02451  244
 Found four species comparison        en          alpv        pe          anao     6.00000    18.00000     1.50000     6.00000  -247.67952  -254.02451  245
 Found four species comparison        en          alpv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -248.28341  -254.02451  246
 Found four species comparison        en          alpv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -251.07786  -254.02451  247
 Found four species comparison        en          appv        pe          anao     6.00000    18.00000     1.50000     6.00000  -236.50038  -254.02451  248
 Found four species comparison        en          appv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -240.83066  -254.02451  249
 Found four species comparison        en          appv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -247.35148  -254.02451  250
 Found four species comparison        en          anao        mgcf        ky       3.00000     6.00000    12.00000     6.00000  -249.94649  -254.02451  251
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     8.00000     2.00000  -252.56370  -254.02451  252
 Found four species comparison        mgts        co          pe          anao    12.00000     6.00000     1.50000     6.00000  -249.61618  -254.02451  253
 Found four species comparison        mgts        alpv        pe          anao    12.00000     6.00000     1.50000     6.00000  -248.49451  -254.02451  254
 Found four species comparison        mgts        appv        pe          anao    12.00000     6.00000     1.50000     6.00000  -244.76813  -254.02451  255
Found three species comparison        mgts        anao        mgcf    12.00000     6.00000     6.00000  -249.09840  -254.02451  256
Found three species comparison        mgts        anao        mnal     6.00000     3.00000     6.00000  -251.48535  -254.02451  257
 Found four species comparison        cen         co          pe          anao     6.00000    18.00000     1.50000     6.00000  -250.68393  -254.02451  258
 Found four species comparison        cen         co          anao        mgcf     6.00000    12.00000     6.00000     6.00000  -250.16615  -254.02451  259
 Found four species comparison        cen         co          anao        mnal     3.00000     6.00000     3.00000     6.00000  -252.01922  -254.02451  260
 Found four species comparison        cen         alpv        pe          anao     6.00000    18.00000     1.50000     6.00000  -247.31891  -254.02451  261
 Found four species comparison        cen         alpv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -247.92280  -254.02451  262
 Found four species comparison        cen         alpv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -250.89755  -254.02451  263
 Found four species comparison        cen         appv        pe          anao     6.00000    18.00000     1.50000     6.00000  -236.13977  -254.02451  264
 Found four species comparison        cen         appv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -240.47004  -254.02451  265
 Found four species comparison        cen         appv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -247.17117  -254.02451  266
 Found four species comparison        cen         anao        mgcf        ky       3.00000     6.00000    12.00000     6.00000  -249.76619  -254.02451  267
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     8.00000     2.00000  -252.50360  -254.02451  268
 Found four species comparison        jd          co          pe          anao     6.00000    18.00000     4.50000     3.00000  -252.34854  -254.02451  269
 Found four species comparison        jd          alpv        pe          anao     6.00000    18.00000     4.50000     3.00000  -248.98352  -254.02451  270
 Found four species comparison        jd          appv        pe          anao     6.00000    18.00000     4.50000     3.00000  -237.80439  -254.02451  271
Found three species comparison        jd          anao        mgcf     6.00000     3.00000    18.00000  -251.60913  -254.02451  272
Found three species comparison        jd          anao        mnal     1.50000     0.75000     9.00000  -253.30651  -254.02451  273
 Found four species comparison        mgc2        co          pe          anao     6.00000    18.00000     1.50000     6.00000  -251.16313  -254.02451  274
 Found four species comparison        mgc2        co          anao        mgcf     6.00000    12.00000     6.00000     6.00000  -250.64535  -254.02451  275
 Found four species comparison        mgc2        co          anao        mnal     3.00000     6.00000     3.00000     6.00000  -252.25883  -254.02451  276
 Found four species comparison        mgc2        alpv        pe          anao     6.00000    18.00000     1.50000     6.00000  -247.79811  -254.02451  277
 Found four species comparison        mgc2        alpv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -248.40201  -254.02451  278
 Found four species comparison        mgc2        alpv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -251.13715  -254.02451  279
 Found four species comparison        mgc2        appv        pe          anao     6.00000    18.00000     1.50000     6.00000  -236.61898  -254.02451  280
 Found four species comparison        mgc2        appv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -240.94925  -254.02451  281
 Found four species comparison        mgc2        appv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -247.41078  -254.02451  282
 Found four species comparison        mgc2        anao        mgcf        ky       3.00000     6.00000    12.00000     6.00000  -250.00579  -254.02451  283
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     8.00000     2.00000  -252.58347  -254.02451  284
 Found four species comparison        mgil        co          pe          anao    12.00000    18.00000     1.50000     6.00000  -252.24079  -254.02451  285
 Found four species comparison        mgil        co          anao        mgcf    12.00000    12.00000     6.00000     6.00000  -251.53492  -254.02451  286
 Found four species comparison        mgil        co          anao        mnal     6.00000     6.00000     3.00000     6.00000  -252.70361  -254.02451  287
 Found four species comparison        mgil        alpv        pe          anao    12.00000    18.00000     1.50000     6.00000  -247.91607  -254.02451  288
 Found four species comparison        mgil        alpv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -248.51996  -254.02451  289
 Found four species comparison        mgil        alpv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -251.19613  -254.02451  290
 Found four species comparison        mgil        appv        pe          anao    12.00000    18.00000     1.50000     6.00000  -236.73693  -254.02451  291
 Found four species comparison        mgil        appv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -241.06720  -254.02451  292
 Found four species comparison        mgil        appv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -247.46975  -254.02451  293
 Found four species comparison        mgil        anao        mgcf        ky       6.00000     6.00000    12.00000     6.00000  -250.06477  -254.02451  294
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     8.00000     2.00000  -252.60312  -254.02451  295
 Found four species comparison        co          py          pe          anao    14.00000     4.00000     1.50000     6.00000  -252.75927  -254.02451  296
 Found four species comparison        co          py          anao        mgcf     8.00000     4.00000     6.00000     6.00000  -252.24149  -254.02451  297
 Found four species comparison        co          py          anao        mnal     4.00000     2.00000     3.00000     6.00000  -253.05689  -254.02451  298
 Found four species comparison        co          mgmj        pe          anao    18.00000     3.00000     1.50000     6.00000  -251.28370  -254.02451  299
 Found four species comparison        co          mgmj        anao        mgcf    12.00000     3.00000     6.00000     6.00000  -250.76592  -254.02451  300
 Found four species comparison        co          mgmj        anao        mnal     6.00000     1.50000     3.00000     6.00000  -252.31911  -254.02451  301
 Found four species comparison        co          namj        pe          anao    20.40000     2.40000     3.90000     3.60000  -251.52286  -254.02451  302
 Found four species comparison        co          namj        anao        mgcf     4.80000     2.40000     3.60000    15.60000  -250.81767  -254.02451  303
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     8.66667  -253.02379  -254.02451  304
 Found four species comparison        co          qtz         pe          anao    18.00000    12.00000     4.50000     6.00000  -247.87255  -254.02451  305
 Found four species comparison        co          coes        pe          anao    18.00000    12.00000     4.50000     6.00000  -248.78272  -254.02451  306
 Found four species comparison        co          st          pe          anao    18.00000    12.00000     4.50000     6.00000  -251.06316  -254.02451  307
 Found four species comparison        co          apbo        pe          anao    18.00000    12.00000     4.50000     6.00000  -249.84952  -254.02451  308
 Found four species comparison        co          mgpv        pe          anao    18.00000    12.00000     1.50000     6.00000  -251.00966  -254.02451  309
 Found four species comparison        co          mgpv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -250.49188  -254.02451  310
 Found four species comparison        co          mgpv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -252.18209  -254.02451  311
 Found four species comparison        co          mppv        pe          anao    18.00000    12.00000     1.50000     6.00000  -248.43213  -254.02451  312
 Found four species comparison        co          mppv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -247.91435  -254.02451  313
 Found four species comparison        co          mppv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -250.89333  -254.02451  314
 Found four species comparison        co          pe          anao        ky       6.00000     4.50000     6.00000    12.00000  -250.29455  -254.02451  315
Found three species comparison        co          pe          nacf    18.00000     4.50000    12.00000  -252.29841  -254.02451  316
Found three species comparison        co          pe          nnal    18.00000     4.50000     4.00000  -251.32599  -254.02451  317
Found three species comparison        co          pe          neph    18.00000     4.50000    12.00000  -245.76730  -254.02451  318
 Found four species comparison        py          alpv        pe          anao     4.00000    14.00000     1.50000     6.00000  -250.14203  -254.02451  319
 Found four species comparison        py          alpv        anao        mgcf     4.00000     8.00000     6.00000     6.00000  -250.74592  -254.02451  320
 Found four species comparison        py          alpv        anao        mnal     2.00000     4.00000     3.00000     6.00000  -252.30911  -254.02451  321
 Found four species comparison        py          appv        pe          anao     4.00000    14.00000     1.50000     6.00000  -241.44715  -254.02451  322
 Found four species comparison        py          appv        anao        mgcf     4.00000     8.00000     6.00000     6.00000  -245.77742  -254.02451  323
 Found four species comparison        py          appv        anao        mnal     2.00000     4.00000     3.00000     6.00000  -249.82486  -254.02451  324
 Found four species comparison        py          anao        mgcf        ky       2.40000     6.00000    10.80000     4.80000  -251.09138  -254.02451  325
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     7.71429     1.71429  -252.87912  -254.02451  326
 Found four species comparison        mgmj        alpv        pe          anao     3.00000    18.00000     1.50000     6.00000  -247.91868  -254.02451  327
 Found four species comparison        mgmj        alpv        anao        mgcf     3.00000    12.00000     6.00000     6.00000  -248.52257  -254.02451  328
 Found four species comparison        mgmj        alpv        anao        mnal     1.50000     6.00000     3.00000     6.00000  -251.19744  -254.02451  329
 Found four species comparison        mgmj        appv        pe          anao     3.00000    18.00000     1.50000     6.00000  -236.73954  -254.02451  330
 Found four species comparison        mgmj        appv        anao        mgcf     3.00000    12.00000     6.00000     6.00000  -241.06981  -254.02451  331
 Found four species comparison        mgmj        appv        anao        mnal     1.50000     6.00000     3.00000     6.00000  -247.47106  -254.02451  332
 Found four species comparison        mgmj        anao        mgcf        ky       1.50000     6.00000    12.00000     6.00000  -250.06607  -254.02451  333
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     8.00000     2.00000  -252.60356  -254.02451  334
 Found four species comparison        namj        alpv        pe          anao     2.40000    20.40000     3.90000     3.60000  -247.70917  -254.02451  335
 Found four species comparison        namj        alpv        anao        mgcf     2.40000     4.80000     3.60000    15.60000  -249.92033  -254.02451  336
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     8.66667  -252.77453  -254.02451  337
 Found four species comparison        namj        appv        pe          anao     2.40000    20.40000     3.90000     3.60000  -235.03948  -254.02451  338
 Found four species comparison        namj        appv        anao        mgcf     2.40000     4.80000     3.60000    15.60000  -246.93923  -254.02451  339
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     8.66667  -251.94645  -254.02451  340
 Found four species comparison        namj        anao        mgcf        ky       1.71429     4.28571    16.28571     3.42857  -250.40297  -254.02451  341
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     8.76923     0.92308  -252.93825  -254.02451  342
 Found four species comparison        qtz         alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -244.50753  -254.02451  343
 Found four species comparison        qtz         appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -233.32839  -254.02451  344
Found three species comparison        qtz         anao        mgcf    12.00000     6.00000    18.00000  -246.94423  -254.02451  345
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     9.00000  -252.14028  -254.02451  346
 Found four species comparison        coes        alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -245.41771  -254.02451  347
 Found four species comparison        coes        appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -234.23857  -254.02451  348
Found three species comparison        coes        anao        mgcf    12.00000     6.00000    18.00000  -247.85440  -254.02451  349
Found three species comparison        coes        anao        mnal     3.00000     1.50000     9.00000  -252.36783  -254.02451  350
 Found four species comparison        st          alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -247.69814  -254.02451  351
 Found four species comparison        st          appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -236.51900  -254.02451  352
Found three species comparison        st          anao        mgcf    12.00000     6.00000    18.00000  -250.13484  -254.02451  353
Found three species comparison        st          anao        mnal     3.00000     1.50000     9.00000  -252.93794  -254.02451  354
 Found four species comparison        apbo        alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -246.48450  -254.02451  355
 Found four species comparison        apbo        appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -235.30536  -254.02451  356
Found three species comparison        apbo        anao        mgcf    12.00000     6.00000    18.00000  -248.92119  -254.02451  357
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     9.00000  -252.63453  -254.02451  358
 Found four species comparison        mgpv        alpv        pe          anao    12.00000    18.00000     1.50000     6.00000  -249.43985  -254.02451  359
 Found four species comparison        mgpv        alpv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -249.71640  -254.02451  360
 Found four species comparison        mgpv        alpv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -251.79435  -254.02451  361
 Found four species comparison        mgpv        appv        pe          anao    12.00000    18.00000     1.50000     6.00000  -236.46550  -254.02451  362
 Found four species comparison        mgpv        appv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -240.79578  -254.02451  363
 Found four species comparison        mgpv        appv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -247.33404  -254.02451  364
 Found four species comparison        mgpv        anao        mgcf        ky       6.00000     6.00000    12.00000     6.00000  -249.92905  -254.02451  365
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     8.00000     2.00000  -252.55789  -254.02451  366
 Found four species comparison        alpv        mppv        pe          anao    18.00000    12.00000     1.50000     6.00000  -245.06712  -254.02451  367
 Found four species comparison        alpv        mppv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -245.67101  -254.02451  368
 Found four species comparison        alpv        mppv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -249.77166  -254.02451  369
 Found four species comparison        alpv        pe          anao        ky       6.00000     4.50000     6.00000    12.00000  -249.17288  -254.02451  370
Found three species comparison        alpv        pe          nacf    18.00000     4.50000    12.00000  -248.93339  -254.02451  371
Found three species comparison        alpv        pe          nnal    18.00000     4.50000     4.00000  -247.96097  -254.02451  372
Found three species comparison        alpv        pe          neph    18.00000     4.50000    12.00000  -242.40228  -254.02451  373
 Found four species comparison        mppv        appv        pe          anao    12.00000    18.00000     1.50000     6.00000  -235.68250  -254.02451  374
 Found four species comparison        mppv        appv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -239.68554  -254.02451  375
 Found four species comparison        mppv        appv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -246.77892  -254.02451  376
 Found four species comparison        mppv        anao        mgcf        ky       6.00000     6.00000    12.00000     6.00000  -248.64029  -254.02451  377
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     8.00000     2.00000  -252.12830  -254.02451  378
 Found four species comparison        appv        pe          anao        ky       6.00000     4.50000     6.00000    12.00000  -245.44650  -254.02451  379
Found three species comparison        appv        pe          nacf    18.00000     4.50000    12.00000  -237.75426  -254.02451  380
Found three species comparison        appv        pe          nnal    18.00000     4.50000     4.00000  -236.78184  -254.02451  381
Found three species comparison        appv        pe          neph    18.00000     4.50000    12.00000  -231.22315  -254.02451  382
 Found four species comparison        pe          anao        mgcf        ky       3.00000     6.00000     6.00000    12.00000  -250.10313  -254.02451  383
 Found four species comparison        pe          anao        mnal        ky       1.50000     3.00000     6.00000     6.00000  -251.98772  -254.02451  384
  Found two species comparison        mgcf        nacf    18.00000    12.00000  -253.59188  -254.02451  385
  Found two species comparison        mgcf        nnal    18.00000     4.00000  -251.05527  -254.02451  386
  Found two species comparison        mgcf        neph    18.00000    12.00000  -245.49658  -254.02451  387
  Found two species comparison        nacf        mnal     3.00000     9.00000  -253.41115  -254.02451  388
  Found two species comparison        mnal        nnal     9.00000     1.00000  -254.02451  -254.02451  389
  Found two species comparison        mnal        neph     9.00000     3.00000  -251.77837  -254.02451  390
 333 mnalnnal          12.00  18.00   0.00   0.00  48.00  12.00 120.00
Number of non-zero components,phases,Gapp    5    1      -234.09095        23.00000      1873.00000
Found three species comparison        ab          sp          anao     4.00000     4.50000     4.00000  -225.14084  -234.09095    1
 Found four species comparison        ab          fo          co          anao     1.00000     9.00000    18.00000     5.50000  -228.84601  -234.09095    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     9.00000    18.00000     5.50000  -225.63238  -234.09095    3
 Found four species comparison        ab          fo          appv        anao     1.00000     9.00000    18.00000     5.50000  -214.72331  -234.09095    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     9.00000    18.00000     5.50000  -229.51895  -234.09095    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     9.00000    18.00000     5.50000  -226.30532  -234.09095    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     9.00000    18.00000     5.50000  -215.39625  -234.09095    7
 Found four species comparison        ab          mgri        co          anao     1.00000     9.00000    18.00000     5.50000  -229.61565  -234.09095    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     9.00000    18.00000     5.50000  -226.40202  -234.09095    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     9.00000    18.00000     5.50000  -215.49295  -234.09095   10
 Found four species comparison        ab          co          pe          anao     4.00000    18.00000     4.50000     4.00000  -226.47487  -234.09095   11
 Found four species comparison        ab          alpv        pe          anao     4.00000    18.00000     4.50000     4.00000  -223.26124  -234.09095   12
 Found four species comparison        ab          appv        pe          anao     4.00000    18.00000     4.50000     4.00000  -212.35217  -234.09095   13
Found three species comparison        ab          anao        mgcf     4.00000     4.00000    18.00000  -225.80586  -234.09095   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     9.00000  -231.87729  -234.09095   15
 Found four species comparison        sp          fo          anao        ky       2.50000     4.00000     6.00000     8.00000  -228.83844  -234.09095   16
 Found four species comparison        sp          mgwa        anao        ky       2.50000     4.00000     6.00000     8.00000  -229.13753  -234.09095   17
 Found four species comparison        sp          mgri        anao        ky       2.50000     4.00000     6.00000     8.00000  -229.18051  -234.09095   18
 Found four species comparison        sp          en          co          anao     1.50000     6.00000    12.00000     6.00000  -229.47542  -234.09095   19
 Found four species comparison        sp          en          alpv        anao     1.50000     6.00000    12.00000     6.00000  -227.33300  -234.09095   20
 Found four species comparison        sp          en          appv        anao     1.50000     6.00000    12.00000     6.00000  -220.06028  -234.09095   21
 Found four species comparison        sp          en          anao        ky       3.00000     3.00000     6.00000     6.00000  -228.84627  -234.09095   22
Found three species comparison        sp          mgts        anao     1.50000    12.00000     6.00000  -227.94826  -234.09095   23
 Found four species comparison        sp          cen         co          anao     1.50000     6.00000    12.00000     6.00000  -229.06806  -234.09095   24
 Found four species comparison        sp          cen         alpv        anao     1.50000     6.00000    12.00000     6.00000  -226.92564  -234.09095   25
 Found four species comparison        sp          cen         appv        anao     1.50000     6.00000    12.00000     6.00000  -219.65293  -234.09095   26
 Found four species comparison        sp          cen         anao        ky       3.00000     3.00000     6.00000     6.00000  -228.64260  -234.09095   27
Found three species comparison        sp          jd          anao     4.50000     6.00000     3.00000  -230.29774  -234.09095   28
 Found four species comparison        sp          mgc2        co          anao     1.50000     6.00000    12.00000     6.00000  -229.65057  -234.09095   29
 Found four species comparison        sp          mgc2        alpv        anao     1.50000     6.00000    12.00000     6.00000  -227.50815  -234.09095   30
 Found four species comparison        sp          mgc2        appv        anao     1.50000     6.00000    12.00000     6.00000  -220.23543  -234.09095   31
 Found four species comparison        sp          mgc2        anao        ky       3.00000     3.00000     6.00000     6.00000  -228.93385  -234.09095   32
 Found four species comparison        sp          mgil        co          anao     1.50000    12.00000    12.00000     6.00000  -231.18563  -234.09095   33
 Found four species comparison        sp          mgil        alpv        anao     1.50000    12.00000    12.00000     6.00000  -228.27160  -234.09095   34
 Found four species comparison        sp          mgil        appv        anao     1.50000    12.00000    12.00000     6.00000  -220.99888  -234.09095   35
 Found four species comparison        sp          mgil        anao        ky       3.00000     6.00000     6.00000     6.00000  -229.31557  -234.09095   36
 Found four species comparison        sp          co          py          anao     1.50000     8.00000     4.00000     6.00000  -231.45631  -234.09095   37
 Found four species comparison        sp          co          mgmj        anao     1.50000    12.00000     3.00000     6.00000  -230.07055  -234.09095   38
 Found four species comparison        sp          co          namj        anao     3.90000     4.80000     2.40000     3.60000  -230.02078  -234.09095   39
 Found four species comparison        sp          co          mgpv        anao     1.50000    12.00000    12.00000     6.00000  -230.45040  -234.09095   40
 Found four species comparison        sp          co          mppv        anao     1.50000    12.00000    12.00000     6.00000  -228.02487  -234.09095   41
 Found four species comparison        sp          py          alpv        anao     1.50000     4.00000     8.00000     6.00000  -230.02803  -234.09095   42
 Found four species comparison        sp          py          appv        anao     1.50000     4.00000     8.00000     6.00000  -225.17956  -234.09095   43
 Found four species comparison        sp          py          anao        ky       2.70000     2.40000     6.00000     4.80000  -230.16064  -234.09095   44
 Found four species comparison        sp          mgmj        alpv        anao     1.50000     3.00000    12.00000     6.00000  -227.92813  -234.09095   45
 Found four species comparison        sp          mgmj        appv        anao     1.50000     3.00000    12.00000     6.00000  -220.65542  -234.09095   46
 Found four species comparison        sp          mgmj        anao        ky       3.00000     1.50000     6.00000     6.00000  -229.14384  -234.09095   47
 Found four species comparison        sp          namj        alpv        anao     3.90000     2.40000     4.80000     3.60000  -229.16381  -234.09095   48
 Found four species comparison        sp          namj        appv        anao     3.90000     2.40000     4.80000     3.60000  -226.25473  -234.09095   49
 Found four species comparison        sp          namj        anao        ky       4.07143     1.71429     4.28571     3.42857  -229.50545  -234.09095   50
Found three species comparison        sp          qtz         anao     4.50000    12.00000     6.00000  -225.38844  -234.09095   51
Found three species comparison        sp          coes        anao     4.50000    12.00000     6.00000  -226.38938  -234.09095   52
Found three species comparison        sp          st          anao     4.50000    12.00000     6.00000  -229.61463  -234.09095   53
Found three species comparison        sp          apbo        anao     4.50000    12.00000     6.00000  -228.47035  -234.09095   54
 Found four species comparison        sp          mgpv        alpv        anao     1.50000    12.00000    12.00000     6.00000  -229.77585  -234.09095   55
 Found four species comparison        sp          mgpv        appv        anao     1.50000    12.00000    12.00000     6.00000  -221.03527  -234.09095   56
 Found four species comparison        sp          mgpv        anao        ky       3.00000     6.00000     6.00000     6.00000  -229.33377  -234.09095   57
 Found four species comparison        sp          alpv        mppv        anao     1.50000    12.00000    12.00000     6.00000  -225.88245  -234.09095   58
 Found four species comparison        sp          mppv        appv        anao     1.50000    12.00000    12.00000     6.00000  -220.07703  -234.09095   59
 Found four species comparison        sp          mppv        anao        ky       3.00000     6.00000     6.00000     6.00000  -228.12100  -234.09095   60
 Found four species comparison        sp          pe          anao        ky       1.50000     3.00000     6.00000    12.00000  -229.30743  -234.09095   61
  Found two species comparison        sp          nacf     4.50000    12.00000  -231.52254  -234.09095   62
  Found two species comparison        sp          nnal     4.50000     4.00000  -230.56965  -234.09095   63
  Found two species comparison        sp          neph     4.50000    12.00000  -222.97922  -234.09095   64
 Found four species comparison        fo          en          co          anao     6.00000     3.00000    18.00000     6.00000  -229.77825  -234.09095   65
 Found four species comparison        fo          en          alpv        anao     6.00000     3.00000    18.00000     6.00000  -226.56462  -234.09095   66
 Found four species comparison        fo          en          appv        anao     6.00000     3.00000    18.00000     6.00000  -215.65554  -234.09095   67
 Found four species comparison        fo          mgts        co          anao     6.00000     6.00000    12.00000     6.00000  -229.01467  -234.09095   68
 Found four species comparison        fo          mgts        alpv        anao     6.00000     6.00000    12.00000     6.00000  -226.87225  -234.09095   69
 Found four species comparison        fo          mgts        appv        anao     6.00000     6.00000    12.00000     6.00000  -219.59953  -234.09095   70
 Found four species comparison        fo          cen         co          anao     6.00000     3.00000    18.00000     6.00000  -229.57457  -234.09095   71
 Found four species comparison        fo          cen         alpv        anao     6.00000     3.00000    18.00000     6.00000  -226.36094  -234.09095   72
 Found four species comparison        fo          cen         appv        anao     6.00000     3.00000    18.00000     6.00000  -215.45186  -234.09095   73
 Found four species comparison        fo          jd          co          anao     9.00000     1.50000    18.00000     5.25000  -230.13524  -234.09095   74
 Found four species comparison        fo          jd          alpv        anao     9.00000     1.50000    18.00000     5.25000  -226.92161  -234.09095   75
 Found four species comparison        fo          jd          appv        anao     9.00000     1.50000    18.00000     5.25000  -216.01254  -234.09095   76
 Found four species comparison        fo          mgc2        co          anao     6.00000     3.00000    18.00000     6.00000  -229.86582  -234.09095   77
 Found four species comparison        fo          mgc2        alpv        anao     6.00000     3.00000    18.00000     6.00000  -226.65219  -234.09095   78
 Found four species comparison        fo          mgc2        appv        anao     6.00000     3.00000    18.00000     6.00000  -215.74312  -234.09095   79
 Found four species comparison        fo          mgil        co          anao     6.00000     6.00000    18.00000     6.00000  -230.97744  -234.09095   80
 Found four species comparison        fo          mgil        alpv        anao     6.00000     6.00000    18.00000     6.00000  -227.03391  -234.09095   81
 Found four species comparison        fo          mgil        appv        anao     6.00000     6.00000    18.00000     6.00000  -216.12484  -234.09095   82
 Found four species comparison        fo          co          py          anao     6.00000    16.00000     2.00000     6.00000  -230.76869  -234.09095   83
 Found four species comparison        fo          co          mgmj        anao     6.00000    18.00000     1.50000     6.00000  -230.07581  -234.09095   84
 Found four species comparison        fo          co          namj        anao     8.66667    18.66667     0.66667     5.33333  -230.06433  -234.09095   85
 Found four species comparison        fo          co          qtz         anao     9.00000    18.00000     3.00000     6.00000  -228.90792  -234.09095   86
 Found four species comparison        fo          co          coes        anao     9.00000    18.00000     3.00000     6.00000  -229.15815  -234.09095   87
 Found four species comparison        fo          co          st          anao     9.00000    18.00000     3.00000     6.00000  -229.96446  -234.09095   88
 Found four species comparison        fo          co          apbo        anao     9.00000    18.00000     3.00000     6.00000  -229.67839  -234.09095   89
 Found four species comparison        fo          co          mgpv        anao     6.00000    18.00000     6.00000     6.00000  -230.26574  -234.09095   90
 Found four species comparison        fo          co          mppv        anao     6.00000    18.00000     6.00000     6.00000  -229.05297  -234.09095   91
 Found four species comparison        fo          co          anao        nacf     9.00000    18.00000     4.50000     3.00000  -230.44144  -234.09095   92
 Found four species comparison        fo          co          anao        nnal     9.00000    18.00000     4.50000     1.00000  -230.20322  -234.09095   93
 Found four species comparison        fo          co          anao        ky       9.00000    15.00000     6.00000     3.00000  -229.61509  -234.09095   94
 Found four species comparison        fo          co          anao        neph     9.00000    18.00000     4.50000     3.00000  -228.30561  -234.09095   95
 Found four species comparison        fo          py          alpv        anao     6.00000     2.00000    16.00000     6.00000  -227.91213  -234.09095   96
 Found four species comparison        fo          py          appv        anao     6.00000     2.00000    16.00000     6.00000  -218.21518  -234.09095   97
 Found four species comparison        fo          mgmj        alpv        anao     6.00000     1.50000    18.00000     6.00000  -226.86218  -234.09095   98
 Found four species comparison        fo          mgmj        appv        anao     6.00000     1.50000    18.00000     6.00000  -215.95311  -234.09095   99
 Found four species comparison        fo          namj        alpv        anao     8.66667     0.66667    18.66667     5.33333  -226.73167  -234.09095  100
 Found four species comparison        fo          namj        appv        anao     8.66667     0.66667    18.66667     5.33333  -215.41856  -234.09095  101
 Found four species comparison        fo          qtz         alpv        anao     9.00000     3.00000    18.00000     6.00000  -225.69429  -234.09095  102
 Found four species comparison        fo          qtz         appv        anao     9.00000     3.00000    18.00000     6.00000  -214.78521  -234.09095  103
 Found four species comparison        fo          coes        alpv        anao     9.00000     3.00000    18.00000     6.00000  -225.94452  -234.09095  104
 Found four species comparison        fo          coes        appv        anao     9.00000     3.00000    18.00000     6.00000  -215.03545  -234.09095  105
 Found four species comparison        fo          st          alpv        anao     9.00000     3.00000    18.00000     6.00000  -226.75083  -234.09095  106
 Found four species comparison        fo          st          appv        anao     9.00000     3.00000    18.00000     6.00000  -215.84176  -234.09095  107
 Found four species comparison        fo          apbo        alpv        anao     9.00000     3.00000    18.00000     6.00000  -226.46476  -234.09095  108
 Found four species comparison        fo          apbo        appv        anao     9.00000     3.00000    18.00000     6.00000  -215.55569  -234.09095  109
 Found four species comparison        fo          mgpv        alpv        anao     6.00000     6.00000    18.00000     6.00000  -228.30420  -234.09095  110
 Found four species comparison        fo          mgpv        appv        anao     6.00000     6.00000    18.00000     6.00000  -216.14303  -234.09095  111
 Found four species comparison        fo          alpv        mppv        anao     6.00000    18.00000     6.00000     6.00000  -225.83934  -234.09095  112
 Found four species comparison        fo          alpv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -227.22781  -234.09095  113
 Found four species comparison        fo          alpv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -226.98959  -234.09095  114
 Found four species comparison        fo          alpv        anao        ky       9.00000    15.00000     6.00000     3.00000  -226.93706  -234.09095  115
 Found four species comparison        fo          alpv        anao        neph     9.00000    18.00000     4.50000     3.00000  -225.09198  -234.09095  116
 Found four species comparison        fo          mppv        appv        anao     6.00000     6.00000    18.00000     6.00000  -216.18193  -234.09095  117
 Found four species comparison        fo          appv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -216.31874  -234.09095  118
 Found four species comparison        fo          appv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -216.08052  -234.09095  119
 Found four species comparison        fo          appv        anao        ky       9.00000    15.00000     6.00000     3.00000  -217.84617  -234.09095  120
 Found four species comparison        fo          appv        anao        neph     9.00000    18.00000     4.50000     3.00000  -214.18291  -234.09095  121
 Found four species comparison        fo          anao        mgcf        ky       4.00000     6.00000    10.00000     8.00000  -229.20790  -234.09095  122
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     7.50000     3.00000  -232.14115  -234.09095  123
 Found four species comparison        mgwa        en          co          anao     6.00000     3.00000    18.00000     6.00000  -230.22687  -234.09095  124
 Found four species comparison        mgwa        en          alpv        anao     6.00000     3.00000    18.00000     6.00000  -227.01324  -234.09095  125
 Found four species comparison        mgwa        en          appv        anao     6.00000     3.00000    18.00000     6.00000  -216.10417  -234.09095  126
 Found four species comparison        mgwa        mgts        co          anao     6.00000     6.00000    12.00000     6.00000  -229.46329  -234.09095  127
 Found four species comparison        mgwa        mgts        alpv        anao     6.00000     6.00000    12.00000     6.00000  -227.32087  -234.09095  128
 Found four species comparison        mgwa        mgts        appv        anao     6.00000     6.00000    12.00000     6.00000  -220.04815  -234.09095  129
 Found four species comparison        mgwa        cen         co          anao     6.00000     3.00000    18.00000     6.00000  -230.02319  -234.09095  130
 Found four species comparison        mgwa        cen         alpv        anao     6.00000     3.00000    18.00000     6.00000  -226.80956  -234.09095  131
 Found four species comparison        mgwa        cen         appv        anao     6.00000     3.00000    18.00000     6.00000  -215.90049  -234.09095  132
 Found four species comparison        mgwa        jd          co          anao     9.00000     1.50000    18.00000     5.25000  -230.80817  -234.09095  133
 Found four species comparison        mgwa        jd          alpv        anao     9.00000     1.50000    18.00000     5.25000  -227.59454  -234.09095  134
 Found four species comparison        mgwa        jd          appv        anao     9.00000     1.50000    18.00000     5.25000  -216.68547  -234.09095  135
 Found four species comparison        mgwa        mgc2        co          anao     6.00000     3.00000    18.00000     6.00000  -230.31444  -234.09095  136
 Found four species comparison        mgwa        mgc2        alpv        anao     6.00000     3.00000    18.00000     6.00000  -227.10081  -234.09095  137
 Found four species comparison        mgwa        mgc2        appv        anao     6.00000     3.00000    18.00000     6.00000  -216.19174  -234.09095  138
 Found four species comparison        mgwa        mgil        co          anao     6.00000     6.00000    18.00000     6.00000  -231.42607  -234.09095  139
 Found four species comparison        mgwa        mgil        alpv        anao     6.00000     6.00000    18.00000     6.00000  -227.48254  -234.09095  140
 Found four species comparison        mgwa        mgil        appv        anao     6.00000     6.00000    18.00000     6.00000  -216.57347  -234.09095  141
 Found four species comparison        mgwa        co          py          anao     6.00000    16.00000     2.00000     6.00000  -231.21732  -234.09095  142
 Found four species comparison        mgwa        co          mgmj        anao     6.00000    18.00000     1.50000     6.00000  -230.52444  -234.09095  143
 Found four species comparison        mgwa        co          namj        anao     8.66667    18.66667     0.66667     5.33333  -230.71234  -234.09095  144
 Found four species comparison        mgwa        co          qtz         anao     9.00000    18.00000     3.00000     6.00000  -229.58085  -234.09095  145
 Found four species comparison        mgwa        co          coes        anao     9.00000    18.00000     3.00000     6.00000  -229.83108  -234.09095  146
 Found four species comparison        mgwa        co          st          anao     9.00000    18.00000     3.00000     6.00000  -230.63740  -234.09095  147
 Found four species comparison        mgwa        co          apbo        anao     9.00000    18.00000     3.00000     6.00000  -230.35133  -234.09095  148
 Found four species comparison        mgwa        co          mgpv        anao     6.00000    18.00000     6.00000     6.00000  -230.71436  -234.09095  149
 Found four species comparison        mgwa        co          mppv        anao     6.00000    18.00000     6.00000     6.00000  -229.50160  -234.09095  150
 Found four species comparison        mgwa        co          anao        nacf     9.00000    18.00000     4.50000     3.00000  -231.11437  -234.09095  151
 Found four species comparison        mgwa        co          anao        nnal     9.00000    18.00000     4.50000     1.00000  -230.87615  -234.09095  152
 Found four species comparison        mgwa        co          anao        ky       9.00000    15.00000     6.00000     3.00000  -230.28802  -234.09095  153
 Found four species comparison        mgwa        co          anao        neph     9.00000    18.00000     4.50000     3.00000  -228.97854  -234.09095  154
 Found four species comparison        mgwa        py          alpv        anao     6.00000     2.00000    16.00000     6.00000  -228.36076  -234.09095  155
 Found four species comparison        mgwa        py          appv        anao     6.00000     2.00000    16.00000     6.00000  -218.66380  -234.09095  156
 Found four species comparison        mgwa        mgmj        alpv        anao     6.00000     1.50000    18.00000     6.00000  -227.31080  -234.09095  157
 Found four species comparison        mgwa        mgmj        appv        anao     6.00000     1.50000    18.00000     6.00000  -216.40173  -234.09095  158
 Found four species comparison        mgwa        namj        alpv        anao     8.66667     0.66667    18.66667     5.33333  -227.37968  -234.09095  159
 Found four species comparison        mgwa        namj        appv        anao     8.66667     0.66667    18.66667     5.33333  -216.06657  -234.09095  160
 Found four species comparison        mgwa        qtz         alpv        anao     9.00000     3.00000    18.00000     6.00000  -226.36722  -234.09095  161
 Found four species comparison        mgwa        qtz         appv        anao     9.00000     3.00000    18.00000     6.00000  -215.45815  -234.09095  162
 Found four species comparison        mgwa        coes        alpv        anao     9.00000     3.00000    18.00000     6.00000  -226.61745  -234.09095  163
 Found four species comparison        mgwa        coes        appv        anao     9.00000     3.00000    18.00000     6.00000  -215.70838  -234.09095  164
 Found four species comparison        mgwa        st          alpv        anao     9.00000     3.00000    18.00000     6.00000  -227.42377  -234.09095  165
 Found four species comparison        mgwa        st          appv        anao     9.00000     3.00000    18.00000     6.00000  -216.51469  -234.09095  166
 Found four species comparison        mgwa        apbo        alpv        anao     9.00000     3.00000    18.00000     6.00000  -227.13770  -234.09095  167
 Found four species comparison        mgwa        apbo        appv        anao     9.00000     3.00000    18.00000     6.00000  -216.22863  -234.09095  168
 Found four species comparison        mgwa        mgpv        alpv        anao     6.00000     6.00000    18.00000     6.00000  -228.75282  -234.09095  169
 Found four species comparison        mgwa        mgpv        appv        anao     6.00000     6.00000    18.00000     6.00000  -216.59166  -234.09095  170
 Found four species comparison        mgwa        alpv        mppv        anao     6.00000    18.00000     6.00000     6.00000  -226.28797  -234.09095  171
 Found four species comparison        mgwa        alpv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -227.90074  -234.09095  172
 Found four species comparison        mgwa        alpv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -227.66252  -234.09095  173
 Found four species comparison        mgwa        alpv        anao        ky       9.00000    15.00000     6.00000     3.00000  -227.61000  -234.09095  174
 Found four species comparison        mgwa        alpv        anao        neph     9.00000    18.00000     4.50000     3.00000  -225.76491  -234.09095  175
 Found four species comparison        mgwa        mppv        appv        anao     6.00000     6.00000    18.00000     6.00000  -216.63055  -234.09095  176
 Found four species comparison        mgwa        appv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -216.99167  -234.09095  177
 Found four species comparison        mgwa        appv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -216.75345  -234.09095  178
 Found four species comparison        mgwa        appv        anao        ky       9.00000    15.00000     6.00000     3.00000  -218.51910  -234.09095  179
 Found four species comparison        mgwa        appv        anao        neph     9.00000    18.00000     4.50000     3.00000  -214.85584  -234.09095  180
 Found four species comparison        mgwa        anao        mgcf        ky       4.00000     6.00000    10.00000     8.00000  -229.50698  -234.09095  181
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     7.50000     3.00000  -232.25330  -234.09095  182
 Found four species comparison        mgri        en          co          anao     6.00000     3.00000    18.00000     6.00000  -230.29134  -234.09095  183
 Found four species comparison        mgri        en          alpv        anao     6.00000     3.00000    18.00000     6.00000  -227.07771  -234.09095  184
 Found four species comparison        mgri        en          appv        anao     6.00000     3.00000    18.00000     6.00000  -216.16864  -234.09095  185
 Found four species comparison        mgri        mgts        co          anao     6.00000     6.00000    12.00000     6.00000  -229.52776  -234.09095  186
 Found four species comparison        mgri        mgts        alpv        anao     6.00000     6.00000    12.00000     6.00000  -227.38534  -234.09095  187
 Found four species comparison        mgri        mgts        appv        anao     6.00000     6.00000    12.00000     6.00000  -220.11262  -234.09095  188
 Found four species comparison        mgri        cen         co          anao     6.00000     3.00000    18.00000     6.00000  -230.08766  -234.09095  189
 Found four species comparison        mgri        cen         alpv        anao     6.00000     3.00000    18.00000     6.00000  -226.87403  -234.09095  190
 Found four species comparison        mgri        cen         appv        anao     6.00000     3.00000    18.00000     6.00000  -215.96496  -234.09095  191
 Found four species comparison        mgri        jd          co          anao     9.00000     1.50000    18.00000     5.25000  -230.90488  -234.09095  192
 Found four species comparison        mgri        jd          alpv        anao     9.00000     1.50000    18.00000     5.25000  -227.69125  -234.09095  193
 Found four species comparison        mgri        jd          appv        anao     9.00000     1.50000    18.00000     5.25000  -216.78218  -234.09095  194
 Found four species comparison        mgri        mgc2        co          anao     6.00000     3.00000    18.00000     6.00000  -230.37891  -234.09095  195
 Found four species comparison        mgri        mgc2        alpv        anao     6.00000     3.00000    18.00000     6.00000  -227.16528  -234.09095  196
 Found four species comparison        mgri        mgc2        appv        anao     6.00000     3.00000    18.00000     6.00000  -216.25621  -234.09095  197
 Found four species comparison        mgri        mgil        co          anao     6.00000     6.00000    18.00000     6.00000  -231.49054  -234.09095  198
 Found four species comparison        mgri        mgil        alpv        anao     6.00000     6.00000    18.00000     6.00000  -227.54701  -234.09095  199
 Found four species comparison        mgri        mgil        appv        anao     6.00000     6.00000    18.00000     6.00000  -216.63793  -234.09095  200
 Found four species comparison        mgri        co          py          anao     6.00000    16.00000     2.00000     6.00000  -231.28179  -234.09095  201
 Found four species comparison        mgri        co          mgmj        anao     6.00000    18.00000     1.50000     6.00000  -230.58890  -234.09095  202
 Found four species comparison        mgri        co          namj        anao     8.66667    18.66667     0.66667     5.33333  -230.80546  -234.09095  203
 Found four species comparison        mgri        co          qtz         anao     9.00000    18.00000     3.00000     6.00000  -229.67756  -234.09095  204
 Found four species comparison        mgri        co          coes        anao     9.00000    18.00000     3.00000     6.00000  -229.92779  -234.09095  205
 Found four species comparison        mgri        co          st          anao     9.00000    18.00000     3.00000     6.00000  -230.73410  -234.09095  206
 Found four species comparison        mgri        co          apbo        anao     9.00000    18.00000     3.00000     6.00000  -230.44803  -234.09095  207
 Found four species comparison        mgri        co          mgpv        anao     6.00000    18.00000     6.00000     6.00000  -230.77883  -234.09095  208
 Found four species comparison        mgri        co          mppv        anao     6.00000    18.00000     6.00000     6.00000  -229.56607  -234.09095  209
 Found four species comparison        mgri        co          anao        nacf     9.00000    18.00000     4.50000     3.00000  -231.21108  -234.09095  210
 Found four species comparison        mgri        co          anao        nnal     9.00000    18.00000     4.50000     1.00000  -230.97286  -234.09095  211
 Found four species comparison        mgri        co          anao        ky       9.00000    15.00000     6.00000     3.00000  -230.38473  -234.09095  212
 Found four species comparison        mgri        co          anao        neph     9.00000    18.00000     4.50000     3.00000  -229.07525  -234.09095  213
 Found four species comparison        mgri        py          alpv        anao     6.00000     2.00000    16.00000     6.00000  -228.42523  -234.09095  214
 Found four species comparison        mgri        py          appv        anao     6.00000     2.00000    16.00000     6.00000  -218.72827  -234.09095  215
 Found four species comparison        mgri        mgmj        alpv        anao     6.00000     1.50000    18.00000     6.00000  -227.37527  -234.09095  216
 Found four species comparison        mgri        mgmj        appv        anao     6.00000     1.50000    18.00000     6.00000  -216.46620  -234.09095  217
 Found four species comparison        mgri        namj        alpv        anao     8.66667     0.66667    18.66667     5.33333  -227.47281  -234.09095  218
 Found four species comparison        mgri        namj        appv        anao     8.66667     0.66667    18.66667     5.33333  -216.15969  -234.09095  219
 Found four species comparison        mgri        qtz         alpv        anao     9.00000     3.00000    18.00000     6.00000  -226.46392  -234.09095  220
 Found four species comparison        mgri        qtz         appv        anao     9.00000     3.00000    18.00000     6.00000  -215.55485  -234.09095  221
 Found four species comparison        mgri        coes        alpv        anao     9.00000     3.00000    18.00000     6.00000  -226.71416  -234.09095  222
 Found four species comparison        mgri        coes        appv        anao     9.00000     3.00000    18.00000     6.00000  -215.80509  -234.09095  223
 Found four species comparison        mgri        st          alpv        anao     9.00000     3.00000    18.00000     6.00000  -227.52047  -234.09095  224
 Found four species comparison        mgri        st          appv        anao     9.00000     3.00000    18.00000     6.00000  -216.61140  -234.09095  225
 Found four species comparison        mgri        apbo        alpv        anao     9.00000     3.00000    18.00000     6.00000  -227.23440  -234.09095  226
 Found four species comparison        mgri        apbo        appv        anao     9.00000     3.00000    18.00000     6.00000  -216.32533  -234.09095  227
 Found four species comparison        mgri        mgpv        alpv        anao     6.00000     6.00000    18.00000     6.00000  -228.81729  -234.09095  228
 Found four species comparison        mgri        mgpv        appv        anao     6.00000     6.00000    18.00000     6.00000  -216.65613  -234.09095  229
 Found four species comparison        mgri        alpv        mppv        anao     6.00000    18.00000     6.00000     6.00000  -226.35244  -234.09095  230
 Found four species comparison        mgri        alpv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -227.99745  -234.09095  231
 Found four species comparison        mgri        alpv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -227.75923  -234.09095  232
 Found four species comparison        mgri        alpv        anao        ky       9.00000    15.00000     6.00000     3.00000  -227.70670  -234.09095  233
 Found four species comparison        mgri        alpv        anao        neph     9.00000    18.00000     4.50000     3.00000  -225.86162  -234.09095  234
 Found four species comparison        mgri        mppv        appv        anao     6.00000     6.00000    18.00000     6.00000  -216.69502  -234.09095  235
 Found four species comparison        mgri        appv        anao        nacf     9.00000    18.00000     4.50000     3.00000  -217.08838  -234.09095  236
 Found four species comparison        mgri        appv        anao        nnal     9.00000    18.00000     4.50000     1.00000  -216.85016  -234.09095  237
 Found four species comparison        mgri        appv        anao        ky       9.00000    15.00000     6.00000     3.00000  -218.61581  -234.09095  238
 Found four species comparison        mgri        appv        anao        neph     9.00000    18.00000     4.50000     3.00000  -214.95255  -234.09095  239
 Found four species comparison        mgri        anao        mgcf        ky       4.00000     6.00000    10.00000     8.00000  -229.54996  -234.09095  240
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     7.50000     3.00000  -232.26942  -234.09095  241
 Found four species comparison        en          co          pe          anao     6.00000    18.00000     1.50000     6.00000  -230.16990  -234.09095  242
 Found four species comparison        en          co          anao        mgcf     6.00000    12.00000     6.00000     6.00000  -229.69709  -234.09095  243
 Found four species comparison        en          co          anao        mnal     3.00000     6.00000     3.00000     6.00000  -231.79909  -234.09095  244
 Found four species comparison        en          alpv        pe          anao     6.00000    18.00000     1.50000     6.00000  -226.95627  -234.09095  245
 Found four species comparison        en          alpv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -227.55467  -234.09095  246
 Found four species comparison        en          alpv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -230.72788  -234.09095  247
 Found four species comparison        en          appv        pe          anao     6.00000    18.00000     1.50000     6.00000  -216.04719  -234.09095  248
 Found four species comparison        en          appv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -220.28196  -234.09095  249
 Found four species comparison        en          appv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -227.09153  -234.09095  250
 Found four species comparison        en          anao        mgcf        ky       3.00000     6.00000    12.00000     6.00000  -229.28962  -234.09095  251
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     8.00000     2.00000  -232.36394  -234.09095  252
 Found four species comparison        mgts        co          pe          anao    12.00000     6.00000     1.50000     6.00000  -228.64274  -234.09095  253
 Found four species comparison        mgts        alpv        pe          anao    12.00000     6.00000     1.50000     6.00000  -227.57153  -234.09095  254
 Found four species comparison        mgts        appv        pe          anao    12.00000     6.00000     1.50000     6.00000  -223.93517  -234.09095  255
Found three species comparison        mgts        anao        mgcf    12.00000     6.00000     6.00000  -228.16993  -234.09095  256
Found three species comparison        mgts        anao        mnal     6.00000     3.00000     6.00000  -231.03551  -234.09095  257
 Found four species comparison        cen         co          pe          anao     6.00000    18.00000     1.50000     6.00000  -229.76254  -234.09095  258
 Found four species comparison        cen         co          anao        mgcf     6.00000    12.00000     6.00000     6.00000  -229.28973  -234.09095  259
 Found four species comparison        cen         co          anao        mnal     3.00000     6.00000     3.00000     6.00000  -231.59541  -234.09095  260
 Found four species comparison        cen         alpv        pe          anao     6.00000    18.00000     1.50000     6.00000  -226.54891  -234.09095  261
 Found four species comparison        cen         alpv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -227.14731  -234.09095  262
 Found four species comparison        cen         alpv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -230.52420  -234.09095  263
 Found four species comparison        cen         appv        pe          anao     6.00000    18.00000     1.50000     6.00000  -215.63984  -234.09095  264
 Found four species comparison        cen         appv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -219.87460  -234.09095  265
 Found four species comparison        cen         appv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -226.88785  -234.09095  266
 Found four species comparison        cen         anao        mgcf        ky       3.00000     6.00000    12.00000     6.00000  -229.08594  -234.09095  267
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     8.00000     2.00000  -232.29604  -234.09095  268
 Found four species comparison        jd          co          pe          anao     6.00000    18.00000     4.50000     3.00000  -231.56725  -234.09095  269
 Found four species comparison        jd          alpv        pe          anao     6.00000    18.00000     4.50000     3.00000  -228.35362  -234.09095  270
 Found four species comparison        jd          appv        pe          anao     6.00000    18.00000     4.50000     3.00000  -217.44454  -234.09095  271
Found three species comparison        jd          anao        mgcf     6.00000     3.00000    18.00000  -230.96276  -234.09095  272
Found three species comparison        jd          anao        mnal     1.50000     0.75000     9.00000  -233.16651  -234.09095  273
 Found four species comparison        mgc2        co          pe          anao     6.00000    18.00000     1.50000     6.00000  -230.34505  -234.09095  274
 Found four species comparison        mgc2        co          anao        mgcf     6.00000    12.00000     6.00000     6.00000  -229.87224  -234.09095  275
 Found four species comparison        mgc2        co          anao        mnal     3.00000     6.00000     3.00000     6.00000  -231.88667  -234.09095  276
 Found four species comparison        mgc2        alpv        pe          anao     6.00000    18.00000     1.50000     6.00000  -227.13142  -234.09095  277
 Found four species comparison        mgc2        alpv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -227.72982  -234.09095  278
 Found four species comparison        mgc2        alpv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -230.81546  -234.09095  279
 Found four species comparison        mgc2        appv        pe          anao     6.00000    18.00000     1.50000     6.00000  -216.22234  -234.09095  280
 Found four species comparison        mgc2        appv        anao        mgcf     6.00000    12.00000     6.00000     6.00000  -220.45711  -234.09095  281
 Found four species comparison        mgc2        appv        anao        mnal     3.00000     6.00000     3.00000     6.00000  -227.17910  -234.09095  282
 Found four species comparison        mgc2        anao        mgcf        ky       3.00000     6.00000    12.00000     6.00000  -229.37719  -234.09095  283
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     8.00000     2.00000  -232.39313  -234.09095  284
 Found four species comparison        mgil        co          pe          anao    12.00000    18.00000     1.50000     6.00000  -232.06820  -234.09095  285
 Found four species comparison        mgil        co          anao        mgcf    12.00000    12.00000     6.00000     6.00000  -231.40730  -234.09095  286
 Found four species comparison        mgil        co          anao        mnal     6.00000     6.00000     3.00000     6.00000  -232.65420  -234.09095  287
 Found four species comparison        mgil        alpv        pe          anao    12.00000    18.00000     1.50000     6.00000  -227.89486  -234.09095  288
 Found four species comparison        mgil        alpv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -228.49327  -234.09095  289
 Found four species comparison        mgil        alpv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -231.19718  -234.09095  290
 Found four species comparison        mgil        appv        pe          anao    12.00000    18.00000     1.50000     6.00000  -216.98579  -234.09095  291
 Found four species comparison        mgil        appv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -221.22055  -234.09095  292
 Found four species comparison        mgil        appv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -227.56082  -234.09095  293
 Found four species comparison        mgil        anao        mgcf        ky       6.00000     6.00000    12.00000     6.00000  -229.75892  -234.09095  294
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     8.00000     2.00000  -232.52037  -234.09095  295
 Found four species comparison        co          py          pe          anao    14.00000     4.00000     1.50000     6.00000  -232.15079  -234.09095  296
 Found four species comparison        co          py          anao        mgcf     8.00000     4.00000     6.00000     6.00000  -231.67799  -234.09095  297
 Found four species comparison        co          py          anao        mnal     4.00000     2.00000     3.00000     6.00000  -232.78954  -234.09095  298
 Found four species comparison        co          mgmj        pe          anao    18.00000     3.00000     1.50000     6.00000  -230.76503  -234.09095  299
 Found four species comparison        co          mgmj        anao        mgcf    12.00000     3.00000     6.00000     6.00000  -230.29222  -234.09095  300
 Found four species comparison        co          mgmj        anao        mnal     6.00000     1.50000     3.00000     6.00000  -232.09666  -234.09095  301
 Found four species comparison        co          namj        pe          anao    20.40000     2.40000     3.90000     3.60000  -231.18538  -234.09095  302
 Found four species comparison        co          namj        anao        mgcf     4.80000     2.40000     3.60000    15.60000  -230.59713  -234.09095  303
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     8.66667  -232.98333  -234.09095  304
 Found four species comparison        co          qtz         pe          anao    18.00000    12.00000     4.50000     6.00000  -226.84686  -234.09095  305
 Found four species comparison        co          coes        pe          anao    18.00000    12.00000     4.50000     6.00000  -227.84779  -234.09095  306
 Found four species comparison        co          st          pe          anao    18.00000    12.00000     4.50000     6.00000  -231.07304  -234.09095  307
 Found four species comparison        co          apbo        pe          anao    18.00000    12.00000     4.50000     6.00000  -229.92877  -234.09095  308
 Found four species comparison        co          mgpv        pe          anao    18.00000    12.00000     1.50000     6.00000  -231.14488  -234.09095  309
 Found four species comparison        co          mgpv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -230.67207  -234.09095  310
 Found four species comparison        co          mgpv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -232.28659  -234.09095  311
 Found four species comparison        co          mppv        pe          anao    18.00000    12.00000     1.50000     6.00000  -228.71935  -234.09095  312
 Found four species comparison        co          mppv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -228.24655  -234.09095  313
 Found four species comparison        co          mppv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -231.07382  -234.09095  314
 Found four species comparison        co          pe          anao        ky       6.00000     4.50000     6.00000    12.00000  -229.67555  -234.09095  315
Found three species comparison        co          pe          nacf    18.00000     4.50000    12.00000  -232.32335  -234.09095  316
Found three species comparison        co          pe          nnal    18.00000     4.50000     4.00000  -231.37047  -234.09095  317
Found three species comparison        co          pe          neph    18.00000     4.50000    12.00000  -223.78004  -234.09095  318
 Found four species comparison        py          alpv        pe          anao     4.00000    14.00000     1.50000     6.00000  -229.65130  -234.09095  319
 Found four species comparison        py          alpv        anao        mgcf     4.00000     8.00000     6.00000     6.00000  -230.24971  -234.09095  320
 Found four species comparison        py          alpv        anao        mnal     2.00000     4.00000     3.00000     6.00000  -232.07540  -234.09095  321
 Found four species comparison        py          appv        pe          anao     4.00000    14.00000     1.50000     6.00000  -221.16647  -234.09095  322
 Found four species comparison        py          appv        anao        mgcf     4.00000     8.00000     6.00000     6.00000  -225.40123  -234.09095  323
 Found four species comparison        py          appv        anao        mnal     2.00000     4.00000     3.00000     6.00000  -229.65116  -234.09095  324
 Found four species comparison        py          anao        mgcf        ky       2.40000     6.00000    10.80000     4.80000  -230.55965  -234.09095  325
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     7.71429     1.71429  -232.70772  -234.09095  326
 Found four species comparison        mgmj        alpv        pe          anao     3.00000    18.00000     1.50000     6.00000  -227.55140  -234.09095  327
 Found four species comparison        mgmj        alpv        anao        mgcf     3.00000    12.00000     6.00000     6.00000  -228.14980  -234.09095  328
 Found four species comparison        mgmj        alpv        anao        mnal     1.50000     6.00000     3.00000     6.00000  -231.02545  -234.09095  329
 Found four species comparison        mgmj        appv        pe          anao     3.00000    18.00000     1.50000     6.00000  -216.64233  -234.09095  330
 Found four species comparison        mgmj        appv        anao        mgcf     3.00000    12.00000     6.00000     6.00000  -220.87709  -234.09095  331
 Found four species comparison        mgmj        appv        anao        mnal     1.50000     6.00000     3.00000     6.00000  -227.38909  -234.09095  332
 Found four species comparison        mgmj        anao        mgcf        ky       1.50000     6.00000    12.00000     6.00000  -229.58719  -234.09095  333
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     8.00000     2.00000  -232.46313  -234.09095  334
 Found four species comparison        namj        alpv        pe          anao     2.40000    20.40000     3.90000     3.60000  -227.54327  -234.09095  335
 Found four species comparison        namj        alpv        anao        mgcf     2.40000     4.80000     3.60000    15.60000  -229.74016  -234.09095  336
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     8.66667  -232.74528  -234.09095  337
 Found four species comparison        namj        appv        pe          anao     2.40000    20.40000     3.90000     3.60000  -215.17965  -234.09095  338
 Found four species comparison        namj        appv        anao        mgcf     2.40000     4.80000     3.60000    15.60000  -226.83108  -234.09095  339
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     8.66667  -231.93720  -234.09095  340
 Found four species comparison        namj        anao        mgcf        ky       1.71429     4.28571    16.28571     3.42857  -230.10713  -234.09095  341
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     8.76923     0.92308  -232.87965  -234.09095  342
 Found four species comparison        qtz         alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -223.63323  -234.09095  343
 Found four species comparison        qtz         appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -212.72416  -234.09095  344
Found three species comparison        qtz         anao        mgcf    12.00000     6.00000    18.00000  -226.05346  -234.09095  345
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     9.00000  -231.93919  -234.09095  346
 Found four species comparison        coes        alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -224.63416  -234.09095  347
 Found four species comparison        coes        appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -213.72509  -234.09095  348
Found three species comparison        coes        anao        mgcf    12.00000     6.00000    18.00000  -227.05439  -234.09095  349
Found three species comparison        coes        anao        mnal     3.00000     1.50000     9.00000  -232.18942  -234.09095  350
 Found four species comparison        st          alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -227.85941  -234.09095  351
 Found four species comparison        st          appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -216.95034  -234.09095  352
Found three species comparison        st          anao        mgcf    12.00000     6.00000    18.00000  -230.27964  -234.09095  353
Found three species comparison        st          anao        mnal     3.00000     1.50000     9.00000  -232.99573  -234.09095  354
 Found four species comparison        apbo        alpv        pe          anao    12.00000    18.00000     4.50000     6.00000  -226.71514  -234.09095  355
 Found four species comparison        apbo        appv        pe          anao    12.00000    18.00000     4.50000     6.00000  -215.80607  -234.09095  356
Found three species comparison        apbo        anao        mgcf    12.00000     6.00000    18.00000  -229.13537  -234.09095  357
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     9.00000  -232.70966  -234.09095  358
 Found four species comparison        mgpv        alpv        pe          anao    12.00000    18.00000     1.50000     6.00000  -229.72646  -234.09095  359
 Found four species comparison        mgpv        alpv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -229.99752  -234.09095  360
 Found four species comparison        mgpv        alpv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -231.94931  -234.09095  361
 Found four species comparison        mgpv        appv        pe          anao    12.00000    18.00000     1.50000     6.00000  -217.02218  -234.09095  362
 Found four species comparison        mgpv        appv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -221.25694  -234.09095  363
 Found four species comparison        mgpv        appv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -227.57902  -234.09095  364
 Found four species comparison        mgpv        anao        mgcf        ky       6.00000     6.00000    12.00000     6.00000  -229.77711  -234.09095  365
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     8.00000     2.00000  -232.52643  -234.09095  366
 Found four species comparison        alpv        mppv        pe          anao    18.00000    12.00000     1.50000     6.00000  -225.50572  -234.09095  367
 Found four species comparison        alpv        mppv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -226.10413  -234.09095  368
 Found four species comparison        alpv        mppv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -230.00261  -234.09095  369
 Found four species comparison        alpv        pe          anao        ky       6.00000     4.50000     6.00000    12.00000  -228.60434  -234.09095  370
Found three species comparison        alpv        pe          nacf    18.00000     4.50000    12.00000  -229.10972  -234.09095  371
Found three species comparison        alpv        pe          nnal    18.00000     4.50000     4.00000  -228.15684  -234.09095  372
Found three species comparison        alpv        pe          neph    18.00000     4.50000    12.00000  -220.56641  -234.09095  373
 Found four species comparison        mppv        appv        pe          anao    12.00000    18.00000     1.50000     6.00000  -216.39117  -234.09095  374
 Found four species comparison        mppv        appv        anao        mgcf    12.00000    12.00000     6.00000     6.00000  -220.29870  -234.09095  375
 Found four species comparison        mppv        appv        anao        mnal     6.00000     6.00000     3.00000     6.00000  -227.09990  -234.09095  376
 Found four species comparison        mppv        anao        mgcf        ky       6.00000     6.00000    12.00000     6.00000  -228.56435  -234.09095  377
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     8.00000     2.00000  -232.12218  -234.09095  378
 Found four species comparison        appv        pe          anao        ky       6.00000     4.50000     6.00000    12.00000  -224.96798  -234.09095  379
Found three species comparison        appv        pe          nacf    18.00000     4.50000    12.00000  -218.20065  -234.09095  380
Found three species comparison        appv        pe          nnal    18.00000     4.50000     4.00000  -217.24777  -234.09095  381
Found three species comparison        appv        pe          neph    18.00000     4.50000    12.00000  -209.65733  -234.09095  382
 Found four species comparison        pe          anao        mgcf        ky       3.00000     6.00000     6.00000    12.00000  -229.52910  -234.09095  383
 Found four species comparison        pe          anao        mnal        ky       1.50000     3.00000     6.00000     6.00000  -231.71510  -234.09095  384
  Found two species comparison        mgcf        nacf    18.00000    12.00000  -233.75174  -234.09095  385
  Found two species comparison        mgcf        nnal    18.00000     4.00000  -231.23467  -234.09095  386
  Found two species comparison        mgcf        neph    18.00000    12.00000  -223.64424  -234.09095  387
  Found two species comparison        nacf        mnal     3.00000     9.00000  -233.47271  -234.09095  388
  Found two species comparison        mnal        nnal     9.00000     1.00000  -234.09095  -234.09095  389
  Found two species comparison        mnal        neph     9.00000     3.00000  -231.33688  -234.09095  390
 334 mnalnnal           6.00   6.00   0.00   0.00  18.00   6.00  48.00
Number of non-zero components,phases,Gapp    5    1      -113.42759        47.00000      1800.00000
Found three species comparison        ab          sp          anao     2.00000     1.50000     2.00000   -92.46546  -113.42759    1
 Found four species comparison        ab          fo          co          anao     1.00000     3.00000     6.00000     2.50000   -98.85568  -113.42759    2
 Found four species comparison        ab          fo          alpv        anao     1.00000     3.00000     6.00000     2.50000   -96.92202  -113.42759    3
 Found four species comparison        ab          fo          appv        anao     1.00000     3.00000     6.00000     2.50000   -89.12717  -113.42759    4
 Found four species comparison        ab          mgwa        co          anao     1.00000     3.00000     6.00000     2.50000  -100.59904  -113.42759    5
 Found four species comparison        ab          mgwa        alpv        anao     1.00000     3.00000     6.00000     2.50000   -98.66538  -113.42759    6
 Found four species comparison        ab          mgwa        appv        anao     1.00000     3.00000     6.00000     2.50000   -90.87053  -113.42759    7
 Found four species comparison        ab          mgri        co          anao     1.00000     3.00000     6.00000     2.50000  -101.22575  -113.42759    8
 Found four species comparison        ab          mgri        alpv        anao     1.00000     3.00000     6.00000     2.50000   -99.29209  -113.42759    9
 Found four species comparison        ab          mgri        appv        anao     1.00000     3.00000     6.00000     2.50000   -91.49724  -113.42759   10
 Found four species comparison        ab          co          pe          anao     2.00000     6.00000     1.50000     2.00000   -97.06733  -113.42759   11
 Found four species comparison        ab          alpv        pe          anao     2.00000     6.00000     1.50000     2.00000   -95.13366  -113.42759   12
 Found four species comparison        ab          appv        pe          anao     2.00000     6.00000     1.50000     2.00000   -87.33881  -113.42759   13
Found three species comparison        ab          anao        mgcf     2.00000     2.00000     6.00000   -97.14431  -113.42759   14
Found three species comparison        ab          anao        mnal     1.00000     1.00000     3.00000  -105.06881  -113.42759   15
 Found four species comparison        sp          fo          anao        ky       0.50000     2.00000     3.00000     4.00000  -101.42683  -113.42759   16
 Found four species comparison        sp          mgwa        anao        ky       0.50000     2.00000     3.00000     4.00000  -102.58907  -113.42759   17
 Found four species comparison        sp          mgri        anao        ky       0.50000     2.00000     3.00000     4.00000  -103.00688  -113.42759   18
 Found four species comparison        sp          en          anao        ky       0.75000     1.50000     3.00000     3.00000  -100.76058  -113.42759   19
 Found four species comparison        sp          cen         anao        ky       0.75000     1.50000     3.00000     3.00000  -100.56452  -113.42759   20
Found three species comparison        sp          jd          anao     1.50000     3.00000     1.50000  -100.30477  -113.42759   21
 Found four species comparison        sp          mgc2        anao        ky       0.75000     1.50000     3.00000     3.00000  -101.16037  -113.42759   22
 Found four species comparison        sp          mgil        anao        ky       0.75000     3.00000     3.00000     3.00000  -103.68122  -113.42759   23
 Found four species comparison        sp          co          namj        anao     1.20000     2.40000     1.20000     1.80000  -103.53306  -113.42759   24
 Found four species comparison        sp          py          anao        ky       0.60000     1.20000     3.00000     2.40000  -103.69126  -113.42759   25
 Found four species comparison        sp          mgmj        anao        ky       0.75000     0.75000     3.00000     3.00000  -102.39549  -113.42759   26
 Found four species comparison        sp          namj        alpv        anao     1.20000     1.20000     2.40000     1.80000  -102.75960  -113.42759   27
 Found four species comparison        sp          namj        appv        anao     1.20000     1.20000     2.40000     1.80000   -99.64166  -113.42759   28
 Found four species comparison        sp          namj        anao        ky       1.28571     0.85714     2.14286     1.71429  -102.38570  -113.42759   29
Found three species comparison        sp          qtz         anao     1.50000     6.00000     3.00000   -93.88349  -113.42759   30
Found three species comparison        sp          coes        anao     1.50000     6.00000     3.00000   -95.09653  -113.42759   31
Found three species comparison        sp          st          anao     1.50000     6.00000     3.00000  -104.83619  -113.42759   32
Found three species comparison        sp          apbo        anao     1.50000     6.00000     3.00000  -103.87336  -113.42759   33
 Found four species comparison        sp          mgpv        anao        ky       0.75000     3.00000     3.00000     3.00000  -104.76514  -113.42759   34
 Found four species comparison        sp          mppv        anao        ky       0.75000     3.00000     3.00000     3.00000  -103.77382  -113.42759   35
  Found two species comparison        sp          nacf     1.50000     6.00000  -106.90335  -113.42759   36
  Found two species comparison        sp          nnal     1.50000     2.00000  -106.05736  -113.42759   37
  Found two species comparison        sp          neph     1.50000     6.00000   -86.65604  -113.42759   38
 Found four species comparison        fo          jd          co          anao     3.00000     1.50000     6.00000     2.25000  -102.77533  -113.42759   39
 Found four species comparison        fo          jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -100.84167  -113.42759   40
 Found four species comparison        fo          jd          appv        anao     3.00000     1.50000     6.00000     2.25000   -93.04682  -113.42759   41
 Found four species comparison        fo          co          namj        anao     2.66667     6.66667     0.66667     2.33333  -104.29432  -113.42759   42
 Found four species comparison        fo          co          qtz         anao     3.00000     6.00000     3.00000     3.00000   -99.56469  -113.42759   43
 Found four species comparison        fo          co          coes        anao     3.00000     6.00000     3.00000     3.00000  -100.17122  -113.42759   44
 Found four species comparison        fo          co          st          anao     3.00000     6.00000     3.00000     3.00000  -105.04104  -113.42759   45
 Found four species comparison        fo          co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -104.55963  -113.42759   46
 Found four species comparison        fo          co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -106.07462  -113.42759   47
 Found four species comparison        fo          co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -105.65163  -113.42759   48
 Found four species comparison        fo          co          anao        ky       3.00000     3.00000     3.00000     3.00000  -102.38160  -113.42759   49
 Found four species comparison        fo          co          anao        neph     3.00000     6.00000     1.50000     3.00000   -95.95097  -113.42759   50
 Found four species comparison        fo          namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -102.14581  -113.42759   51
 Found four species comparison        fo          namj        appv        anao     2.66667     0.66667     6.66667     2.33333   -93.48486  -113.42759   52
 Found four species comparison        fo          qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000   -97.63103  -113.42759   53
 Found four species comparison        fo          qtz         appv        anao     3.00000     3.00000     6.00000     3.00000   -89.83618  -113.42759   54
 Found four species comparison        fo          coes        alpv        anao     3.00000     3.00000     6.00000     3.00000   -98.23755  -113.42759   55
 Found four species comparison        fo          coes        appv        anao     3.00000     3.00000     6.00000     3.00000   -90.44270  -113.42759   56
 Found four species comparison        fo          st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -103.10738  -113.42759   57
 Found four species comparison        fo          st          appv        anao     3.00000     3.00000     6.00000     3.00000   -95.31253  -113.42759   58
 Found four species comparison        fo          apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -102.62596  -113.42759   59
 Found four species comparison        fo          apbo        appv        anao     3.00000     3.00000     6.00000     3.00000   -94.83111  -113.42759   60
 Found four species comparison        fo          alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -104.14096  -113.42759   61
 Found four species comparison        fo          alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -103.71797  -113.42759   62
 Found four species comparison        fo          alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -101.41476  -113.42759   63
 Found four species comparison        fo          alpv        anao        neph     3.00000     6.00000     1.50000     3.00000   -94.01731  -113.42759   64
 Found four species comparison        fo          appv        anao        nacf     3.00000     6.00000     1.50000     3.00000   -96.34611  -113.42759   65
 Found four species comparison        fo          appv        anao        nnal     3.00000     6.00000     1.50000     1.00000   -95.92312  -113.42759   66
 Found four species comparison        fo          appv        anao        ky       3.00000     3.00000     3.00000     3.00000   -97.51734  -113.42759   67
 Found four species comparison        fo          appv        anao        neph     3.00000     6.00000     1.50000     3.00000   -86.22246  -113.42759   68
 Found four species comparison        fo          anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -102.98644  -113.42759   69
 Found four species comparison        fo          anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -105.48816  -113.42759   70
 Found four species comparison        mgwa        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -104.51870  -113.42759   71
 Found four species comparison        mgwa        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -102.58503  -113.42759   72
 Found four species comparison        mgwa        jd          appv        anao     3.00000     1.50000     6.00000     2.25000   -94.79018  -113.42759   73
 Found four species comparison        mgwa        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -105.84398  -113.42759   74
 Found four species comparison        mgwa        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -101.30806  -113.42759   75
 Found four species comparison        mgwa        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -101.91458  -113.42759   76
 Found four species comparison        mgwa        co          st          anao     3.00000     6.00000     3.00000     3.00000  -106.78440  -113.42759   77
 Found four species comparison        mgwa        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -106.30299  -113.42759   78
 Found four species comparison        mgwa        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -107.81799  -113.42759   79
 Found four species comparison        mgwa        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -107.39499  -113.42759   80
 Found four species comparison        mgwa        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -104.12496  -113.42759   81
 Found four species comparison        mgwa        co          anao        neph     3.00000     6.00000     1.50000     3.00000   -97.69433  -113.42759   82
 Found four species comparison        mgwa        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -103.69546  -113.42759   83
 Found four species comparison        mgwa        namj        appv        anao     2.66667     0.66667     6.66667     2.33333   -95.03452  -113.42759   84
 Found four species comparison        mgwa        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000   -99.37439  -113.42759   85
 Found four species comparison        mgwa        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000   -91.57954  -113.42759   86
 Found four species comparison        mgwa        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000   -99.98091  -113.42759   87
 Found four species comparison        mgwa        coes        appv        anao     3.00000     3.00000     6.00000     3.00000   -92.18607  -113.42759   88
 Found four species comparison        mgwa        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -104.85074  -113.42759   89
 Found four species comparison        mgwa        st          appv        anao     3.00000     3.00000     6.00000     3.00000   -97.05589  -113.42759   90
 Found four species comparison        mgwa        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -104.36933  -113.42759   91
 Found four species comparison        mgwa        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000   -96.57448  -113.42759   92
 Found four species comparison        mgwa        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -105.88432  -113.42759   93
 Found four species comparison        mgwa        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -105.46133  -113.42759   94
 Found four species comparison        mgwa        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -103.15813  -113.42759   95
 Found four species comparison        mgwa        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000   -95.76067  -113.42759   96
 Found four species comparison        mgwa        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000   -98.08947  -113.42759   97
 Found four species comparison        mgwa        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000   -97.66648  -113.42759   98
 Found four species comparison        mgwa        appv        anao        ky       3.00000     3.00000     3.00000     3.00000   -99.26070  -113.42759   99
 Found four species comparison        mgwa        appv        anao        neph     3.00000     6.00000     1.50000     3.00000   -87.96582  -113.42759  100
 Found four species comparison        mgwa        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -104.14869  -113.42759  101
 Found four species comparison        mgwa        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -106.35984  -113.42759  102
 Found four species comparison        mgri        jd          co          anao     3.00000     1.50000     6.00000     2.25000  -105.14540  -113.42759  103
 Found four species comparison        mgri        jd          alpv        anao     3.00000     1.50000     6.00000     2.25000  -103.21174  -113.42759  104
 Found four species comparison        mgri        jd          appv        anao     3.00000     1.50000     6.00000     2.25000   -95.41689  -113.42759  105
 Found four species comparison        mgri        co          namj        anao     2.66667     6.66667     0.66667     2.33333  -106.40105  -113.42759  106
 Found four species comparison        mgri        co          qtz         anao     3.00000     6.00000     3.00000     3.00000  -101.93476  -113.42759  107
 Found four species comparison        mgri        co          coes        anao     3.00000     6.00000     3.00000     3.00000  -102.54129  -113.42759  108
 Found four species comparison        mgri        co          st          anao     3.00000     6.00000     3.00000     3.00000  -107.41111  -113.42759  109
 Found four species comparison        mgri        co          apbo        anao     3.00000     6.00000     3.00000     3.00000  -106.92970  -113.42759  110
 Found four species comparison        mgri        co          anao        nacf     3.00000     6.00000     1.50000     3.00000  -108.44469  -113.42759  111
 Found four species comparison        mgri        co          anao        nnal     3.00000     6.00000     1.50000     1.00000  -108.02170  -113.42759  112
 Found four species comparison        mgri        co          anao        ky       3.00000     3.00000     3.00000     3.00000  -104.75167  -113.42759  113
 Found four species comparison        mgri        co          anao        neph     3.00000     6.00000     1.50000     3.00000   -98.32104  -113.42759  114
 Found four species comparison        mgri        namj        alpv        anao     2.66667     0.66667     6.66667     2.33333  -104.25254  -113.42759  115
 Found four species comparison        mgri        namj        appv        anao     2.66667     0.66667     6.66667     2.33333   -95.59159  -113.42759  116
 Found four species comparison        mgri        qtz         alpv        anao     3.00000     3.00000     6.00000     3.00000  -100.00110  -113.42759  117
 Found four species comparison        mgri        qtz         appv        anao     3.00000     3.00000     6.00000     3.00000   -92.20625  -113.42759  118
 Found four species comparison        mgri        coes        alpv        anao     3.00000     3.00000     6.00000     3.00000  -100.60762  -113.42759  119
 Found four species comparison        mgri        coes        appv        anao     3.00000     3.00000     6.00000     3.00000   -92.81277  -113.42759  120
 Found four species comparison        mgri        st          alpv        anao     3.00000     3.00000     6.00000     3.00000  -105.47745  -113.42759  121
 Found four species comparison        mgri        st          appv        anao     3.00000     3.00000     6.00000     3.00000   -97.68260  -113.42759  122
 Found four species comparison        mgri        apbo        alpv        anao     3.00000     3.00000     6.00000     3.00000  -104.99603  -113.42759  123
 Found four species comparison        mgri        apbo        appv        anao     3.00000     3.00000     6.00000     3.00000   -97.20118  -113.42759  124
 Found four species comparison        mgri        alpv        anao        nacf     3.00000     6.00000     1.50000     3.00000  -106.51103  -113.42759  125
 Found four species comparison        mgri        alpv        anao        nnal     3.00000     6.00000     1.50000     1.00000  -106.08804  -113.42759  126
 Found four species comparison        mgri        alpv        anao        ky       3.00000     3.00000     3.00000     3.00000  -103.78484  -113.42759  127
 Found four species comparison        mgri        alpv        anao        neph     3.00000     6.00000     1.50000     3.00000   -96.38738  -113.42759  128
 Found four species comparison        mgri        appv        anao        nacf     3.00000     6.00000     1.50000     3.00000   -98.71618  -113.42759  129
 Found four species comparison        mgri        appv        anao        nnal     3.00000     6.00000     1.50000     1.00000   -98.29319  -113.42759  130
 Found four species comparison        mgri        appv        anao        ky       3.00000     3.00000     3.00000     3.00000   -99.88741  -113.42759  131
 Found four species comparison        mgri        appv        anao        neph     3.00000     6.00000     1.50000     3.00000   -88.59253  -113.42759  132
 Found four species comparison        mgri        anao        mgcf        ky       2.00000     3.00000     2.00000     4.00000  -104.56649  -113.42759  133
 Found four species comparison        mgri        anao        mnal        ky       1.50000     2.25000     1.50000     3.00000  -106.67320  -113.42759  134
Found three species comparison        en          co          anao     3.00000     6.00000     3.00000  -102.00386  -113.42759  135
Found three species comparison        en          alpv        anao     3.00000     6.00000     3.00000  -100.07020  -113.42759  136
Found three species comparison        en          appv        anao     3.00000     6.00000     3.00000   -92.27535  -113.42759  137
 Found four species comparison        en          anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -103.10000  -113.42759  138
 Found four species comparison        en          anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -106.39777  -113.42759  139
  Found two species comparison        mgts        anao     6.00000     3.00000   -99.76594  -113.42759  140
Found three species comparison        cen         co          anao     3.00000     6.00000     3.00000  -101.61175  -113.42759  141
Found three species comparison        cen         alpv        anao     3.00000     6.00000     3.00000   -99.67809  -113.42759  142
Found three species comparison        cen         appv        anao     3.00000     6.00000     3.00000   -91.88324  -113.42759  143
 Found four species comparison        cen         anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -102.90395  -113.42759  144
 Found four species comparison        cen         anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -106.26707  -113.42759  145
 Found four species comparison        jd          co          pe          anao     3.00000     6.00000     1.50000     1.50000  -104.83824  -113.42759  146
 Found four species comparison        jd          alpv        pe          anao     3.00000     6.00000     1.50000     1.50000  -102.90458  -113.42759  147
 Found four species comparison        jd          appv        pe          anao     3.00000     6.00000     1.50000     1.50000   -95.10973  -113.42759  148
Found three species comparison        jd          anao        mgcf     3.00000     1.50000     6.00000  -104.98362  -113.42759  149
Found three species comparison        jd          anao        mnal     1.50000     0.75000     3.00000  -108.98847  -113.42759  150
Found three species comparison        mgc2        co          anao     3.00000     6.00000     3.00000  -102.80345  -113.42759  151
Found three species comparison        mgc2        alpv        anao     3.00000     6.00000     3.00000  -100.86978  -113.42759  152
Found three species comparison        mgc2        appv        anao     3.00000     6.00000     3.00000   -93.07493  -113.42759  153
 Found four species comparison        mgc2        anao        mgcf        ky       1.50000     3.00000     3.00000     3.00000  -103.49979  -113.42759  154
 Found four species comparison        mgc2        anao        mnal        ky       1.00000     2.00000     2.00000     2.00000  -106.66430  -113.42759  155
Found three species comparison        mgil        co          anao     6.00000     6.00000     3.00000  -108.68945  -113.42759  156
Found three species comparison        mgil        alpv        anao     6.00000     6.00000     3.00000  -105.91148  -113.42759  157
Found three species comparison        mgil        appv        anao     6.00000     6.00000     3.00000   -98.11663  -113.42759  158
 Found four species comparison        mgil        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -106.02064  -113.42759  159
 Found four species comparison        mgil        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -108.34487  -113.42759  160
Found three species comparison        co          py          anao     4.00000     2.00000     3.00000  -106.47390  -113.42759  161
Found three species comparison        co          mgmj        anao     6.00000     1.50000     3.00000  -105.27369  -113.42759  162
 Found four species comparison        co          namj        pe          anao     7.20000     1.20000     1.20000     1.80000  -107.24175  -113.42759  163
 Found four species comparison        co          namj        anao        mgcf     2.40000     1.20000     1.80000     4.80000  -107.27614  -113.42759  164
 Found four species comparison        co          namj        anao        mnal     1.33333     0.66667     1.00000     2.66667  -109.81711  -113.42759  165
 Found four species comparison        co          qtz         pe          anao     6.00000     6.00000     1.50000     3.00000   -98.61917  -113.42759  166
 Found four species comparison        co          coes        pe          anao     6.00000     6.00000     1.50000     3.00000   -99.83222  -113.42759  167
 Found four species comparison        co          st          pe          anao     6.00000     6.00000     1.50000     3.00000  -109.57187  -113.42759  168
 Found four species comparison        co          apbo        pe          anao     6.00000     6.00000     1.50000     3.00000  -108.60904  -113.42759  169
Found three species comparison        co          mgpv        anao     6.00000     6.00000     3.00000  -110.01298  -113.42759  170
Found three species comparison        co          mppv        anao     6.00000     6.00000     3.00000  -108.03035  -113.42759  171
Found three species comparison        co          pe          nacf     6.00000     1.50000     6.00000  -111.02630  -113.42759  172
Found three species comparison        co          pe          nnal     6.00000     1.50000     2.00000  -110.18031  -113.42759  173
Found three species comparison        co          pe          neph     6.00000     1.50000     6.00000   -90.77899  -113.42759  174
Found three species comparison        py          alpv        anao     2.00000     4.00000     3.00000  -105.18479  -113.42759  175
Found three species comparison        py          appv        anao     2.00000     4.00000     3.00000   -99.98822  -113.42759  176
 Found four species comparison        py          anao        mgcf        ky       1.20000     3.00000     2.40000     2.40000  -105.56280  -113.42759  177
 Found four species comparison        py          anao        mnal        ky       0.85714     2.14286     1.71429     1.71429  -107.68580  -113.42759  178
Found three species comparison        mgmj        alpv        anao     1.50000     6.00000     3.00000  -103.34002  -113.42759  179
Found three species comparison        mgmj        appv        anao     1.50000     6.00000     3.00000   -95.54517  -113.42759  180
 Found four species comparison        mgmj        anao        mgcf        ky       0.75000     3.00000     3.00000     3.00000  -104.73491  -113.42759  181
 Found four species comparison        mgmj        anao        mnal        ky       0.50000     2.00000     2.00000     2.00000  -107.48771  -113.42759  182
 Found four species comparison        namj        alpv        pe          anao     1.20000     7.20000     1.20000     1.80000  -104.92136  -113.42759  183
 Found four species comparison        namj        alpv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -106.50267  -113.42759  184
 Found four species comparison        namj        alpv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -109.38740  -113.42759  185
 Found four species comparison        namj        appv        pe          anao     1.20000     7.20000     1.20000     1.80000   -95.56754  -113.42759  186
 Found four species comparison        namj        appv        anao        mgcf     1.20000     2.40000     1.80000     4.80000  -103.38473  -113.42759  187
 Found four species comparison        namj        appv        anao        mnal     0.66667     1.33333     1.00000     2.66667  -107.65522  -113.42759  188
 Found four species comparison        namj        anao        mgcf        ky       0.85714     2.14286     5.14286     1.71429  -106.39614  -113.42759  189
 Found four species comparison        namj        anao        mnal        ky       0.46154     1.15385     2.76923     0.92308  -109.44099  -113.42759  190
 Found four species comparison        qtz         alpv        pe          anao     6.00000     6.00000     1.50000     3.00000   -96.68551  -113.42759  191
 Found four species comparison        qtz         appv        pe          anao     6.00000     6.00000     1.50000     3.00000   -88.89066  -113.42759  192
Found three species comparison        qtz         anao        mgcf     6.00000     3.00000     6.00000   -98.56233  -113.42759  193
Found three species comparison        qtz         anao        mnal     3.00000     1.50000     3.00000  -105.77782  -113.42759  194
 Found four species comparison        coes        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000   -97.89855  -113.42759  195
 Found four species comparison        coes        appv        pe          anao     6.00000     6.00000     1.50000     3.00000   -90.10370  -113.42759  196
Found three species comparison        coes        anao        mgcf     6.00000     3.00000     6.00000   -99.77538  -113.42759  197
Found three species comparison        coes        anao        mnal     3.00000     1.50000     3.00000  -106.38435  -113.42759  198
 Found four species comparison        st          alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -107.63821  -113.42759  199
 Found four species comparison        st          appv        pe          anao     6.00000     6.00000     1.50000     3.00000   -99.84336  -113.42759  200
Found three species comparison        st          anao        mgcf     6.00000     3.00000     6.00000  -109.51503  -113.42759  201
Found three species comparison        st          anao        mnal     3.00000     1.50000     3.00000  -111.25417  -113.42759  202
 Found four species comparison        apbo        alpv        pe          anao     6.00000     6.00000     1.50000     3.00000  -106.67538  -113.42759  203
 Found four species comparison        apbo        appv        pe          anao     6.00000     6.00000     1.50000     3.00000   -98.88053  -113.42759  204
Found three species comparison        apbo        anao        mgcf     6.00000     3.00000     6.00000  -108.55220  -113.42759  205
Found three species comparison        apbo        anao        mnal     3.00000     1.50000     3.00000  -110.77276  -113.42759  206
Found three species comparison        mgpv        alpv        anao     6.00000     6.00000     3.00000  -109.79394  -113.42759  207
Found three species comparison        mgpv        appv        anao     6.00000     6.00000     3.00000  -100.28446  -113.42759  208
 Found four species comparison        mgpv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -107.10456  -113.42759  209
 Found four species comparison        mgpv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -109.06748  -113.42759  210
Found three species comparison        alpv        mppv        anao     6.00000     6.00000     3.00000  -106.09668  -113.42759  211
Found three species comparison        alpv        pe          nacf     6.00000     1.50000     6.00000  -109.09263  -113.42759  212
Found three species comparison        alpv        pe          nnal     6.00000     1.50000     2.00000  -108.24665  -113.42759  213
Found three species comparison        alpv        pe          neph     6.00000     1.50000     6.00000   -88.84532  -113.42759  214
Found three species comparison        mppv        appv        anao     6.00000     6.00000     3.00000  -100.01574  -113.42759  215
 Found four species comparison        mppv        anao        mgcf        ky       3.00000     3.00000     3.00000     3.00000  -106.11324  -113.42759  216
 Found four species comparison        mppv        anao        mnal        ky       2.00000     2.00000     2.00000     2.00000  -108.40660  -113.42759  217
Found three species comparison        appv        pe          nacf     6.00000     1.50000     6.00000  -101.29778  -113.42759  218
Found three species comparison        appv        pe          nnal     6.00000     1.50000     2.00000  -100.45180  -113.42759  219
Found three species comparison        appv        pe          neph     6.00000     1.50000     6.00000   -81.05047  -113.42759  220
Found three species comparison        pe          anao        ky       1.50000     3.00000     6.00000  -104.25298  -113.42759  221
  Found two species comparison        mgcf        nacf     6.00000     6.00000  -113.24487  -113.42759  222
  Found two species comparison        mgcf        nnal     6.00000     2.00000  -110.73621  -113.42759  223
  Found two species comparison        mgcf        neph     6.00000     6.00000   -91.33488  -113.42759  224
  Found two species comparison        nacf        mnal     3.00000     3.00000  -112.28775  -113.42759  225
  Found two species comparison        mnal        nnal     3.00000     1.00000  -113.42759  -113.42759  226
  Found two species comparison        mnal        neph     3.00000     3.00000  -102.16410  -113.42759  227
 335 en                 2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1      -350.55920         0.00000      1830.00000
  Found two species comparison        fo          qtz      1.00000     1.00000  -350.46161  -350.55920    1
  Found two species comparison        fo          coes     1.00000     1.00000  -349.40274  -350.55920    2
  Found two species comparison        fo          st       1.00000     1.00000  -343.58891  -350.55920    3
  Found two species comparison        fo          apbo     1.00000     1.00000  -340.81228  -350.55920    4
  Found two species comparison        mgwa        qtz      1.00000     1.00000  -346.77320  -350.55920    5
  Found two species comparison        mgwa        coes     1.00000     1.00000  -345.71433  -350.55920    6
  Found two species comparison        mgwa        st       1.00000     1.00000  -339.90049  -350.55920    7
  Found two species comparison        mgwa        apbo     1.00000     1.00000  -337.12387  -350.55920    8
  Found two species comparison        mgri        qtz      1.00000     1.00000  -344.62502  -350.55920    9
  Found two species comparison        mgri        coes     1.00000     1.00000  -343.56615  -350.55920   10
  Found two species comparison        mgri        st       1.00000     1.00000  -337.75232  -350.55920   11
  Found two species comparison        mgri        apbo     1.00000     1.00000  -334.97569  -350.55920   12
  Found one species comparison        en       1.00000  -350.55920  -350.55920   13
  Found one species comparison        cen      1.00000  -350.30233  -350.55920   14
  Found one species comparison        mgc2     1.00000  -349.72445  -350.55920   15
  Found one species comparison        mgil     2.00000  -336.30993  -350.55920   16
  Found one species comparison        mgmj     0.50000  -343.28079  -350.55920   17
  Found two species comparison        qtz         pe       2.00000     0.50000  -345.37891  -350.55920   18
  Found two species comparison        coes        pe       2.00000     0.50000  -343.26117  -350.55920   19
  Found two species comparison        st          pe       2.00000     0.50000  -331.63350  -350.55920   20
  Found two species comparison        apbo        pe       2.00000     0.50000  -326.08025  -350.55920   21
  Found one species comparison        mgpv     2.00000  -329.30556  -350.55920   22
  Found one species comparison        mppv     2.00000  -317.46338  -350.55920   23
 336 mgpv               1.00   1.00   0.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    3    1      -267.83483        25.00000      2900.00000
  Found two species comparison        fo          qtz      0.50000     0.50000  -256.69609  -267.83483    1
  Found two species comparison        fo          coes     0.50000     0.50000  -258.89827  -267.83483    2
  Found two species comparison        fo          st       0.50000     0.50000  -263.70166  -267.83483    3
  Found two species comparison        fo          apbo     0.50000     0.50000  -261.53804  -267.83483    4
  Found two species comparison        mgwa        qtz      0.50000     0.50000  -258.02768  -267.83483    5
  Found two species comparison        mgwa        coes     0.50000     0.50000  -260.22986  -267.83483    6
  Found two species comparison        mgwa        st       0.50000     0.50000  -265.03325  -267.83483    7
  Found two species comparison        mgwa        apbo     0.50000     0.50000  -262.86962  -267.83483    8
  Found two species comparison        mgri        qtz      0.50000     0.50000  -257.98071  -267.83483    9
  Found two species comparison        mgri        coes     0.50000     0.50000  -260.18289  -267.83483   10
  Found two species comparison        mgri        st       0.50000     0.50000  -264.98628  -267.83483   11
  Found two species comparison        mgri        apbo     0.50000     0.50000  -262.82266  -267.83483   12
  Found one species comparison        en       0.50000  -264.08581  -267.83483   13
  Found one species comparison        cen      0.50000  -262.00891  -267.83483   14
  Found one species comparison        mgc2     0.50000  -263.73990  -267.83483   15
  Found one species comparison        mgil     1.00000  -265.35485  -267.83483   16
  Found one species comparison        mgmj     0.25000  -266.47194  -267.83483   17
  Found two species comparison        qtz         pe       1.00000     0.25000  -250.33680  -267.83483   18
  Found two species comparison        coes        pe       1.00000     0.25000  -254.74116  -267.83483   19
  Found two species comparison        st          pe       1.00000     0.25000  -264.34793  -267.83483   20
  Found two species comparison        apbo        pe       1.00000     0.25000  -260.02069  -267.83483   21
  Found one species comparison        mgpv     1.00000  -267.83483  -267.83483   22
  Found one species comparison        mppv     1.00000  -258.23377  -267.83483   23
 337 co                 0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        92.13526       102.20000      1870.00000
  Found one species comparison        co       1.00000    92.13526    92.13526    1
  Found one species comparison        alpv     1.00000    92.47833    92.13526    2
  Found one species comparison        appv     1.00000   105.13701    92.13526    3
 338 co                 0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        84.99586       101.10000      1930.00000
  Found one species comparison        co       1.00000    84.99586    84.99586    1
  Found one species comparison        alpv     1.00000    85.40968    84.99586    2
  Found one species comparison        appv     1.00000    98.03368    84.99586    3
 339 co                 0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       120.47871       106.40000      1600.00000
  Found one species comparison        co       1.00000   120.47871   120.47871    1
  Found one species comparison        alpv     1.00000   120.54036   120.47871    2
  Found one species comparison        appv     1.00000   133.46396   120.47871    3
 340 co                 0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        12.99460        96.90000      3000.00000
  Found one species comparison        co       1.00000    12.99460    12.99460    1
  Found one species comparison        alpv     1.00000    13.12302    12.99460    2
  Found one species comparison        appv     1.00000    22.61549    12.99460    3
 341 co                 0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        45.26062        97.90000      2480.00000
  Found one species comparison        co       1.00000    45.26062    45.26062    1
  Found one species comparison        alpv     1.00000    45.65891    45.26062    2
  Found one species comparison        appv     1.00000    56.85565    45.26062    3
 342 alpv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        89.87426       105.20000      2180.00000
  Found one species comparison        co       1.00000    89.90989    89.87426    1
  Found one species comparison        alpv     1.00000    89.87426    89.87426    2
  Found one species comparison        appv     1.00000   100.98844    89.87426    3
 343 alpv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        78.57885       107.20000      2560.00000
  Found one species comparison        co       1.00000    78.94073    78.57885    1
  Found one species comparison        alpv     1.00000    78.57885    78.57885    2
  Found one species comparison        appv     1.00000    88.05430    78.57885    3
 344 alpv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       114.38084       107.20000      1820.00000
  Found one species comparison        co       1.00000   114.45458   114.38084    1
  Found one species comparison        alpv     1.00000   114.38084   114.38084    2
  Found one species comparison        appv     1.00000   126.42707   114.38084    3
 345 alpv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       122.35545       107.60000      1670.00000
  Found one species comparison        co       1.00000   122.42041   122.35545    1
  Found one species comparison        alpv     1.00000   122.35545   122.35545    2
  Found one species comparison        appv     1.00000   134.85205   122.35545    3
 346 alpv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        30.93035        99.90000      2900.00000
  Found one species comparison        co       1.00000    30.94440    30.93035    1
  Found one species comparison        alpv     1.00000    30.93035    30.93035    2
  Found one species comparison        appv     1.00000    40.32298    30.93035    3
 347 alpv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        47.13571       103.10000      2840.00000
  Found one species comparison        co       1.00000    47.34193    47.13571    1
  Found one species comparison        alpv     1.00000    47.13571    47.13571    2
  Found one species comparison        appv     1.00000    56.25196    47.13571    3
 348 alpv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       268.09734       157.10000      2570.00000
  Found one species comparison        co       1.00000   272.12486   268.09734    1
  Found one species comparison        alpv     1.00000   268.09734   268.09734    2
  Found one species comparison        appv     1.00000   269.97792   268.09734    3
 349 alpv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       327.51274       169.70000      2290.00000
  Found one species comparison        co       1.00000   332.51226   327.51274    1
  Found one species comparison        alpv     1.00000   327.51274   327.51274    2
  Found one species comparison        appv     1.00000   328.47134   327.51274    3
 350 alpv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       195.65416       145.30000      3110.00000
  Found one species comparison        co       1.00000   198.84682   195.65416    1
  Found one species comparison        alpv     1.00000   195.65416   195.65416    2
  Found one species comparison        appv     1.00000   197.44511   195.65416    3
 351 alpv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       160.39680       142.50000      3540.00000
  Found one species comparison        co       1.00000   163.46375   160.39680    1
  Found one species comparison        alpv     1.00000   160.39680   160.39680    2
  Found one species comparison        appv     1.00000   161.11534   160.39680    3
 352 alpv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       243.75401       156.30000      2980.00000
  Found one species comparison        co       1.00000   247.67034   243.75401    1
  Found one species comparison        alpv     1.00000   243.75401   243.75401    2
  Found one species comparison        appv     1.00000   244.35511   243.75401    3
 353 appv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       368.85913       186.00000      2590.00000
  Found one species comparison        co       1.00000   377.30525   368.85913    1
  Found one species comparison        alpv     1.00000   371.30521   368.85913    2
  Found one species comparison        appv     1.00000   368.85913   368.85913    3
 354 appv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       240.73123       158.40000      3170.00000
  Found one species comparison        co       1.00000   245.12594   240.73123    1
  Found one species comparison        alpv     1.00000   241.09202   240.73123    2
  Found one species comparison        appv     1.00000   240.73123   240.73123    3
 355 appv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       270.93644       164.00000      2990.00000
  Found one species comparison        co       1.00000   275.92706   270.93644    1
  Found one species comparison        alpv     1.00000   271.50914   270.93644    2
  Found one species comparison        appv     1.00000   270.93644   270.93644    3
 356 appv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       186.18444       148.90000      3510.00000
  Found one species comparison        co       1.00000   189.75718   186.18444    1
  Found one species comparison        alpv     1.00000   186.31047   186.18444    2
  Found one species comparison        appv     1.00000   186.18444   186.18444    3
 357 appv               0.00   0.00   0.00   0.00   2.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       265.84446       161.90000      2950.00000
  Found one species comparison        co       1.00000   270.25842   265.84446    1
  Found one species comparison        alpv     1.00000   265.97034   265.84446    2
  Found one species comparison        appv     1.00000   265.84446   265.84446    3
 358 hem                0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       -42.05211        22.60000      1014.00000
  Found one species comparison        hem      1.00000   -42.05211   -42.05211    1
  Found one species comparison        hepv     1.00000   -41.66765   -42.05211    2
  Found one species comparison        hlpv     1.00000   -28.87192   -42.05211    3
  Found one species comparison        hppv     1.00000   -32.13280   -42.05211    4
  Found one species comparison        lppv     1.00000     7.34344   -42.05211    5
 359 hem                0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       -35.79317        24.60000      1115.00000
  Found one species comparison        hem      1.00000   -35.79317   -35.79317    1
  Found one species comparison        hepv     1.00000   -35.59436   -35.79317    2
  Found one species comparison        hlpv     1.00000   -23.17295   -35.79317    3
  Found one species comparison        hppv     1.00000   -26.71975   -35.79317    4
  Found one species comparison        lppv     1.00000    12.53484   -35.79317    5
 360 hem                0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       -21.91444        27.10000      1115.00000
  Found one species comparison        hem      1.00000   -21.91444   -21.91444    1
  Found one species comparison        hepv     1.00000   -21.93236   -21.91444    2
  Found one species comparison        hlpv     1.00000   -10.52953   -21.91444    3
  Found one species comparison        hppv     1.00000   -14.13244   -21.91444    4
  Found one species comparison        lppv     1.00000    24.48193   -21.91444    5
 361 hem                0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        28.60932        32.40000       578.00000
  Found one species comparison        hem      1.00000    28.60932    28.60932    1
  Found one species comparison        hepv     1.00000    28.89862    28.60932    2
  Found one species comparison        hlpv     1.00000    35.98217    28.60932    3
  Found one species comparison        hppv     1.00000    33.42775    28.60932    4
  Found one species comparison        lppv     1.00000    69.14274    28.60932    5
 362 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       -32.03638        26.40000      1238.00000
  Found one species comparison        hem      1.00000   -32.05098   -32.03638    1
  Found one species comparison        hepv     1.00000   -32.03638   -32.03638    2
  Found one species comparison        hlpv     1.00000   -19.78705   -32.03638    3
  Found one species comparison        hppv     1.00000   -23.67202   -32.03638    4
  Found one species comparison        lppv     1.00000    15.48016   -32.03638    5
 363 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        34.15554        34.80000       778.00000
  Found one species comparison        hem      1.00000    34.80880    34.15554    1
  Found one species comparison        hepv     1.00000    34.15554    34.15554    2
  Found one species comparison        hlpv     1.00000    41.25689    34.15554    3
  Found one species comparison        hppv     1.00000    38.15184    34.15554    4
  Found one species comparison        lppv     1.00000    73.84568    34.15554    5
 364 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        47.62560        36.80000       697.00000
  Found one species comparison        hem      1.00000    48.36975    47.62560    1
  Found one species comparison        hepv     1.00000    47.62560    47.62560    2
  Found one species comparison        hlpv     1.00000    53.72630    47.62560    3
  Found one species comparison        hppv     1.00000    50.70459    47.62560    4
  Found one species comparison        lppv     1.00000    85.66861    47.62560    5
 365 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       -25.82511        26.80000      1160.00000
  Found one species comparison        hem      1.00000   -25.82483   -25.82511    1
  Found one species comparison        hepv     1.00000   -25.82511   -25.82511    2
  Found one species comparison        hlpv     1.00000   -14.09654   -25.82511    3
  Found one species comparison        hppv     1.00000   -17.80062   -25.82511    4
  Found one species comparison        lppv     1.00000    21.02170   -25.82511    5
 366 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        17.29606        32.30000       869.00000
  Found one species comparison        hem      1.00000    17.79034    17.29606    1
  Found one species comparison        hepv     1.00000    17.29606    17.29606    2
  Found one species comparison        hlpv     1.00000    25.65198    17.29606    3
  Found one species comparison        hppv     1.00000    22.45008    17.29606    4
  Found one species comparison        lppv     1.00000    59.03224    17.29606    5
 367 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        49.69869        36.20000       545.00000
  Found one species comparison        hem      1.00000    49.85987    49.69869    1
  Found one species comparison        hepv     1.00000    49.69869    49.69869    2
  Found one species comparison        hlpv     1.00000    55.37362    49.69869    3
  Found one species comparison        hppv     1.00000    52.71197    49.69869    4
  Found one species comparison        lppv     1.00000    87.38797    49.69869    5
 368 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        75.97958        43.90000       897.00000
  Found one species comparison        hem      1.00000    78.28990    75.97958    1
  Found one species comparison        hepv     1.00000    75.97958    75.97958    2
  Found one species comparison        hlpv     1.00000    80.70182    75.97958    3
  Found one species comparison        hppv     1.00000    76.87039    75.97958    4
  Found one species comparison        lppv     1.00000   110.68240    75.97958    5
 369 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        33.99005        40.00000      1358.00000
  Found one species comparison        hem      1.00000    35.56752    33.99005    1
  Found one species comparison        hepv     1.00000    33.99005    33.99005    2
  Found one species comparison        hlpv     1.00000    41.82747    33.99005    3
  Found one species comparison        hppv     1.00000    37.19373    33.99005    4
  Found one species comparison        lppv     1.00000    73.30117    33.99005    5
 370 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        80.79927        41.10000       300.00000
  Found one species comparison        hem      1.00000    80.79642    80.79927    1
  Found one species comparison        hepv     1.00000    80.79927    80.79927    2
  Found one species comparison        hlpv     1.00000    84.03311    80.79927    3
  Found one species comparison        hppv     1.00000    81.62111    80.79927    4
  Found one species comparison        lppv     1.00000   114.42357    80.79927    5
 371 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        43.67711        45.10000      1658.00000
  Found one species comparison        hem      1.00000    45.93685    43.67711    1
  Found one species comparison        hepv     1.00000    43.67711    43.67711    2
  Found one species comparison        hlpv     1.00000    51.16754    43.67711    3
  Found one species comparison        hppv     1.00000    45.62295    43.67711    4
  Found one species comparison        lppv     1.00000    81.37210    43.67711    5
 372 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        34.17149        45.10000      1820.00000
  Found one species comparison        hem      1.00000    36.38448    34.17149    1
  Found one species comparison        hepv     1.00000    34.17149    34.17149    2
  Found one species comparison        hlpv     1.00000    42.33614    34.17149    3
  Found one species comparison        hppv     1.00000    36.43489    34.17149    4
  Found one species comparison        lppv     1.00000    72.65705    34.17149    5
 373 hepv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        32.60530        45.70000      1897.00000
  Found one species comparison        hem      1.00000    34.88659    32.60530    1
  Found one species comparison        hepv     1.00000    32.60530    32.60530    2
  Found one species comparison        hlpv     1.00000    40.90586    32.60530    3
  Found one species comparison        hppv     1.00000    34.80514    32.60530    4
  Found one species comparison        lppv     1.00000    71.10783    32.60530    5
 374 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       117.76255        48.90000       300.00000
  Found one species comparison        hem      1.00000   121.10481   117.76255    1
  Found one species comparison        hepv     1.00000   119.59629   117.76255    2
  Found one species comparison        hlpv     1.00000   120.66038   117.76255    3
  Found one species comparison        hppv     1.00000   117.76255   117.76255    4
  Found one species comparison        lppv     1.00000   148.69186   117.76255    5
 375 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       123.70786        50.20000       300.00000
  Found one species comparison        hem      1.00000   127.74321   123.70786    1
  Found one species comparison        hepv     1.00000   125.96631   123.70786    2
  Found one species comparison        hlpv     1.00000   126.69255   123.70786    3
  Found one species comparison        hppv     1.00000   123.70786   123.70786    4
  Found one species comparison        lppv     1.00000   154.32904   123.70786    5
 376 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        83.19118        53.50000      1693.00000
  Found one species comparison        hem      1.00000    87.70785    83.19118    1
  Found one species comparison        hepv     1.00000    84.06228    83.19118    2
  Found one species comparison        hlpv     1.00000    89.28735    83.19118    3
  Found one species comparison        hppv     1.00000    83.19118    83.19118    4
  Found one species comparison        lppv     1.00000   117.04717    83.19118    5
 377 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        71.02748        52.80000      1851.00000
  Found one species comparison        hem      1.00000    74.80644    71.02748    1
  Found one species comparison        hepv     1.00000    71.36847    71.02748    2
  Found one species comparison        hlpv     1.00000    77.41608    71.02748    3
  Found one species comparison        hppv     1.00000    71.02748    71.02748    4
  Found one species comparison        lppv     1.00000   105.51014    71.02748    5
 378 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        84.56846        55.70000      1850.00000
  Found one species comparison        hem      1.00000    89.82084    84.56846    1
  Found one species comparison        hepv     1.00000    85.87039    84.56846    2
  Found one species comparison        hlpv     1.00000    91.13403    84.56846    3
  Found one species comparison        hppv     1.00000    84.56846    84.56846    4
  Found one species comparison        lppv     1.00000   118.36878    84.56846    5
 379 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        64.12489        53.10000      1993.00000
  Found one species comparison        hem      1.00000    67.71805    64.12489    1
  Found one species comparison        hepv     1.00000    64.29862    64.12489    2
  Found one species comparison        hlpv     1.00000    70.83415    64.12489    3
  Found one species comparison        hppv     1.00000    64.12489    64.12489    4
  Found one species comparison        lppv     1.00000    98.95176    64.12489    5
 380 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        69.08158        54.80000      2043.00000
  Found one species comparison        hem      1.00000    73.41238    69.08158    1
  Found one species comparison        hepv     1.00000    69.72770    69.08158    2
  Found one species comparison        hlpv     1.00000    75.99914    69.08158    3
  Found one species comparison        hppv     1.00000    69.08158    69.08158    4
  Found one species comparison        lppv     1.00000   103.65599    69.08158    5
 381 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        61.50414        54.50000      2145.00000
  Found one species comparison        hem      1.00000    65.44244    61.50414    1
  Found one species comparison        hepv     1.00000    61.85969    61.50414    2
  Found one species comparison        hlpv     1.00000    68.62074    61.50414    3
  Found one species comparison        hppv     1.00000    61.50414    61.50414    4
  Found one species comparison        lppv     1.00000    96.44614    61.50414    5
 382 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        58.16123        57.60000      2429.00000
  Found one species comparison        hem      1.00000    62.97676    58.16123    1
  Found one species comparison        hepv     1.00000    59.01058    58.16123    2
  Found one species comparison        hlpv     1.00000    66.06892    58.16123    3
  Found one species comparison        hppv     1.00000    58.16123    58.16123    4
  Found one species comparison        lppv     1.00000    93.20798    58.16123    5
 383 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        53.89952        59.10000      2602.00000
  Found one species comparison        hem      1.00000    59.05084    53.89952    1
  Found one species comparison        hepv     1.00000    54.91868    53.89952    2
  Found one species comparison        hlpv     1.00000    62.26610    53.89952    3
  Found one species comparison        hppv     1.00000    53.89952    53.89952    4
  Found one species comparison        lppv     1.00000    89.10170    53.89952    5
 384 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       128.26660        51.20000       300.00000
  Found one species comparison        hem      1.00000   132.83481   128.26660    1
  Found one species comparison        hepv     1.00000   130.84852   128.26660    2
  Found one species comparison        hlpv     1.00000   131.31916   128.26660    3
  Found one species comparison        hppv     1.00000   128.26660   128.26660    4
  Found one species comparison        lppv     1.00000   158.65151   128.26660    5
 385 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       148.17853        55.60000       300.00000
  Found one species comparison        hem      1.00000   155.08804   148.17853    1
  Found one species comparison        hepv     1.00000   152.15178   148.17853    2
  Found one species comparison        hlpv     1.00000   151.54016   148.17853    3
  Found one species comparison        hppv     1.00000   148.17853   148.17853    4
  Found one species comparison        lppv     1.00000   177.53145   148.17853    5
 386 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       152.22274        56.50000       300.00000
  Found one species comparison        hem      1.00000   159.61047   152.22274    1
  Found one species comparison        hepv     1.00000   156.47443   152.22274    2
  Found one species comparison        hlpv     1.00000   155.64959   152.22274    3
  Found one species comparison        hppv     1.00000   152.22274   152.22274    4
  Found one species comparison        lppv     1.00000   181.36605   152.22274    5
 387 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       164.74436        59.30000       300.00000
  Found one species comparison        hem      1.00000   173.61836   164.74436    1
  Found one species comparison        hepv     1.00000   169.84962   164.74436    2
  Found one species comparison        hlpv     1.00000   168.37825   164.74436    3
  Found one species comparison        hppv     1.00000   164.74436   164.74436    4
  Found one species comparison        lppv     1.00000   193.23870   164.74436    5
 388 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       184.68277        63.80000       300.00000
  Found one species comparison        hem      1.00000   195.94039   184.68277    1
  Found one species comparison        hepv     1.00000   191.12164   184.68277    2
  Found one species comparison        hlpv     1.00000   188.66179   184.68277    3
  Found one species comparison        hppv     1.00000   184.68277   184.68277    4
  Found one species comparison        lppv     1.00000   212.14374   184.68277    5
 389 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       188.64381        64.70000       300.00000
  Found one species comparison        hem      1.00000   200.37739   188.64381    1
  Found one species comparison        hepv     1.00000   195.34403   188.64381    2
  Found one species comparison        hlpv     1.00000   192.69359   188.64381    3
  Found one species comparison        hppv     1.00000   188.64381   188.64381    4
  Found one species comparison        lppv     1.00000   215.89949   188.64381    5
 390 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       197.85264        66.80000       300.00000
  Found one species comparison        hem      1.00000   210.69575   197.85264    1
  Found one species comparison        hepv     1.00000   205.15598   197.85264    2
  Found one species comparison        hlpv     1.00000   202.06967   197.85264    3
  Found one species comparison        hppv     1.00000   197.85264   197.85264    4
  Found one species comparison        lppv     1.00000   224.63103   197.85264    5
 391 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       206.14457        68.70000       300.00000
  Found one species comparison        hem      1.00000   219.99032   206.14457    1
  Found one species comparison        hepv     1.00000   213.98579   206.14457    2
  Found one species comparison        hlpv     1.00000   210.51544   206.14457    3
  Found one species comparison        hppv     1.00000   206.14457   206.14457    4
  Found one species comparison        lppv     1.00000   232.49321   206.14457    5
 392 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       217.43146        71.30000       300.00000
  Found one species comparison        hem      1.00000   232.64728   217.43146    1
  Found one species comparison        hepv     1.00000   225.99710   217.43146    2
  Found one species comparison        hlpv     1.00000   222.01655   217.43146    3
  Found one species comparison        hppv     1.00000   217.43146   217.43146    4
  Found one species comparison        lppv     1.00000   243.19512   217.43146    5
 393 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       233.80648        75.10000       300.00000
  Found one species comparison        hem      1.00000   251.02060   233.80648    1
  Found one species comparison        hepv     1.00000   243.40785   233.80648    2
  Found one species comparison        hlpv     1.00000   238.71201   233.80648    3
  Found one species comparison        hppv     1.00000   233.80648   233.80648    4
  Found one species comparison        lppv     1.00000   258.72145   233.80648    5
 394 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       106.69863        56.30000      1495.00000
  Found one species comparison        hem      1.00000   113.14191   106.69863    1
  Found one species comparison        hepv     1.00000   108.85102   106.69863    2
  Found one species comparison        hlpv     1.00000   112.56021   106.69863    3
  Found one species comparison        hppv     1.00000   106.69863   106.69863    4
  Found one species comparison        lppv     1.00000   139.31920   106.69863    5
 395 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       156.38646        68.70000      1616.00000
  Found one species comparison        hem      1.00000   168.86950   156.38646    1
  Found one species comparison        hepv     1.00000   162.13315   156.38646    2
  Found one species comparison        hlpv     1.00000   163.39656   156.38646    3
  Found one species comparison        hppv     1.00000   156.38646   156.38646    4
  Found one species comparison        lppv     1.00000   186.51487   156.38646    5
 396 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       148.62963        68.00000      1703.00000
  Found one species comparison        hem      1.00000   160.51991   148.62963    1
  Found one species comparison        hepv     1.00000   154.01945   148.62963    2
  Found one species comparison        hlpv     1.00000   155.76171   148.62963    3
  Found one species comparison        hppv     1.00000   148.62963   148.62963    4
  Found one species comparison        lppv     1.00000   179.17178   148.62963    5
 397 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       147.25020        68.30000      1753.00000
  Found one species comparison        hem      1.00000   159.15875   147.25020    1
  Found one species comparison        hepv     1.00000   152.64208   147.25020    2
  Found one species comparison        hlpv     1.00000   154.50675   147.25020    3
  Found one species comparison        hppv     1.00000   147.25020   147.25020    4
  Found one species comparison        lppv     1.00000   177.87111   147.25020    5
 398 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       151.83050        68.90000      1718.00000
  Found one species comparison        hem      1.00000   164.13905   151.83050    1
  Found one species comparison        hepv     1.00000   157.46004   151.83050    2
  Found one species comparison        hlpv     1.00000   159.06259   151.83050    3
  Found one species comparison        hppv     1.00000   151.83050   151.83050    4
  Found one species comparison        lppv     1.00000   182.21303   151.83050    5
 399 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       103.93849        59.60000      1825.00000
  Found one species comparison        hem      1.00000   111.23347   103.93849    1
  Found one species comparison        hepv     1.00000   106.54058   103.93849    2
  Found one species comparison        hlpv     1.00000   110.70904   103.93849    3
  Found one species comparison        hppv     1.00000   103.93849   103.93849    4
  Found one species comparison        lppv     1.00000   136.75989   103.93849    5
 400 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        92.26737        58.90000      1972.00000
  Found one species comparison        hem      1.00000    98.83917    92.26737    1
  Found one species comparison        hepv     1.00000    94.37849    92.26737    2
  Found one species comparison        hlpv     1.00000    99.29665    92.26737    3
  Found one species comparison        hppv     1.00000    92.26737    92.26737    4
  Found one species comparison        lppv     1.00000   125.68075    92.26737    5
 401 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        90.97009        59.40000      2033.00000
  Found one species comparison        hem      1.00000    97.64284    90.97009    1
  Found one species comparison        hepv     1.00000    93.12928    90.97009    2
  Found one species comparison        hlpv     1.00000    98.15989    90.97009    3
  Found one species comparison        hppv     1.00000    90.97009    90.97009    4
  Found one species comparison        lppv     1.00000   124.44614    90.97009    5
 402 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       137.74441        68.80000      1962.00000
  Found one species comparison        hem      1.00000   149.34735   137.74441    1
  Found one species comparison        hepv     1.00000   142.92132   137.74441    2
  Found one species comparison        hlpv     1.00000   145.46327   137.74441    3
  Found one species comparison        hppv     1.00000   137.74441   137.74441    4
  Found one species comparison        lppv     1.00000   168.86498   137.74441    5
 403 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        93.44290        61.60000      2160.00000
  Found one species comparison        hem      1.00000   100.90654    93.44290    1
  Found one species comparison        hepv     1.00000    96.06809    93.44290    2
  Found one species comparison        hlpv     1.00000   101.04526    93.44290    3
  Found one species comparison        hppv     1.00000    93.44290    93.44290    4
  Found one species comparison        lppv     1.00000   126.78302    93.44290    5
 404 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        89.62946        61.30000      2200.00000
  Found one species comparison        hem      1.00000    96.84313    89.62946    1
  Found one species comparison        hepv     1.00000    92.08755    89.62946    2
  Found one species comparison        hlpv     1.00000    97.29457    89.62946    3
  Found one species comparison        hppv     1.00000    89.62946    89.62946    4
  Found one species comparison        lppv     1.00000   123.15529    89.62946    5
 405 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       125.16457        69.40000      2220.00000
  Found one species comparison        hem      1.00000   136.38792   125.16457    1
  Found one species comparison        hepv     1.00000   130.07030   125.16457    2
  Found one species comparison        hlpv     1.00000   133.45310   125.16457    3
  Found one species comparison        hppv     1.00000   125.16457   125.16457    4
  Found one species comparison        lppv     1.00000   156.90485   125.16457    5
 406 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        86.22834        62.00000      2307.00000
  Found one species comparison        hem      1.00000    93.52738    86.22834    1
  Found one species comparison        hepv     1.00000    88.71330    86.22834    2
  Found one species comparison        hlpv     1.00000    94.16331    86.22834    3
  Found one species comparison        hppv     1.00000    86.22834    86.22834    4
  Found one species comparison        lppv     1.00000   119.90553    86.22834    5
 407 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        83.34645        62.00000      2353.00000
  Found one species comparison        hem      1.00000    90.53215    83.34645    1
  Found one species comparison        hepv     1.00000    85.74811    83.34645    2
  Found one species comparison        hlpv     1.00000    91.37713    83.34645    3
  Found one species comparison        hppv     1.00000    83.34645    83.34645    4
  Found one species comparison        lppv     1.00000   117.15770    83.34645    5
 408 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       109.29561        72.00000      2657.00000
  Found one species comparison        hem      1.00000   120.67638   109.29561    1
  Found one species comparison        hepv     1.00000   114.21303   109.29561    2
  Found one species comparison        hlpv     1.00000   118.66942   109.29561    3
  Found one species comparison        hppv     1.00000   109.29561   109.29561    4
  Found one species comparison        lppv     1.00000   141.72696   109.29561    5
 409 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1       103.97779        71.40000      2697.00000
  Found one species comparison        hem      1.00000   114.95976   103.97779    1
  Found one species comparison        hepv     1.00000   108.64767   103.97779    2
  Found one species comparison        hlpv     1.00000   113.38741   103.97779    3
  Found one species comparison        hppv     1.00000   103.97779   103.97779    4
  Found one species comparison        lppv     1.00000   136.65996   103.97779    5
 410 hppv               0.00   0.00   2.00   0.00   0.00   0.00   3.00
Number of non-zero components,phases,Gapp    2    1        62.30976        64.20000      2830.00000
  Found one species comparison        hem      1.00000    69.42551    62.30976    1
  Found one species comparison        hepv     1.00000    64.54310    62.30976    2
  Found one species comparison        hlpv     1.00000    71.48193    62.30976    3
  Found one species comparison        hppv     1.00000    62.30976    62.30976    4
  Found one species comparison        lppv     1.00000    97.00423    62.30976    5
 411 fea                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       -45.38402         0.00000      1185.00000
  Found one species comparison        fea      1.00000   -45.38402   -45.38402    1
  Found one species comparison        feg      1.00000   -45.39821   -45.38402    2
  Found one species comparison        fee      1.00000   -42.57329   -45.38402    3
 412 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       -45.39821         0.00000      1185.00000
  Found one species comparison        fea      1.00000   -45.38402   -45.39821    1
  Found one species comparison        feg      1.00000   -45.39821   -45.39821    2
  Found one species comparison        fee      1.00000   -42.57329   -45.39821    3
 413 fea                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       -84.92910         0.00000      1667.00000
  Found one species comparison        fea      1.00000   -84.92910   -84.92910    1
  Found one species comparison        feg      1.00000   -84.89248   -84.92910    2
  Found one species comparison        fee      1.00000   -82.47693   -84.92910    3
 414 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       -84.89248         0.00000      1667.00000
  Found one species comparison        fea      1.00000   -84.92910   -84.89248    1
  Found one species comparison        feg      1.00000   -84.89248   -84.89248    2
  Found one species comparison        fee      1.00000   -82.47693   -84.89248    3
 415 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       -64.40038         0.00000      1426.00000
  Found one species comparison        fea      1.00000   -64.37574   -64.40038    1
  Found one species comparison        feg      1.00000   -64.40038   -64.40038    2
  Found one species comparison        fee      1.00000   -61.51173   -64.40038    3
 416 fea                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       -75.30885         5.20000      1991.00000
  Found one species comparison        fea      1.00000   -75.30885   -75.30885    1
  Found one species comparison        feg      1.00000   -75.33126   -75.30885    2
  Found one species comparison        fee      1.00000   -72.80807   -75.30885    3
 417 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       -75.33126         5.20000      1991.00000
  Found one species comparison        fea      1.00000   -75.30885   -75.33126    1
  Found one species comparison        feg      1.00000   -75.33126   -75.33126    2
  Found one species comparison        fee      1.00000   -72.80807   -75.33126    3
 418 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       106.74284        22.10000      1168.00000
  Found one species comparison        fea      1.00000   108.42164   106.74284    1
  Found one species comparison        feg      1.00000   106.74284   106.74284    2
  Found one species comparison        fee      1.00000   107.05040   106.74284    3
 419 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       143.55686        29.40000      1309.00000
  Found one species comparison        fea      1.00000   145.71424   143.55686    1
  Found one species comparison        feg      1.00000   143.55686   143.55686    2
  Found one species comparison        fee      1.00000   143.48285   143.55686    3
 420 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       154.20623        32.70000      1449.00000
  Found one species comparison        fea      1.00000   156.46323   154.20623    1
  Found one species comparison        feg      1.00000   154.20623   154.20623    2
  Found one species comparison        fee      1.00000   154.41279   154.20623    3
 421 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       209.51073        44.10000      1651.00000
  Found one species comparison        fea      1.00000   212.29853   209.51073    1
  Found one species comparison        feg      1.00000   209.51073   209.51073    2
  Found one species comparison        fee      1.00000   209.09064   209.51073    3
 422 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       244.37832        54.40000      1997.00000
  Found one species comparison        fea      1.00000   247.29657   244.37832    1
  Found one species comparison        feg      1.00000   244.37832   244.37832    2
  Found one species comparison        fee      1.00000   244.48956   244.37832    3
 423 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       284.49240        65.70000      2318.00000
  Found one species comparison        fea      1.00000   309.51640   284.49240    1
  Found one species comparison        feg      1.00000   284.49240   284.49240    2
  Found one species comparison        fee      1.00000   284.88348   284.49240    3
 424 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       291.69438        67.40000      2350.00000
  Found one species comparison        fea      1.00000   317.06724   291.69438    1
  Found one species comparison        feg      1.00000   291.69438   291.69438    2
  Found one species comparison        fee      1.00000   292.01765   291.69438    3
 425 feg                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       106.74284        22.10000      1168.00000
  Found one species comparison        fea      1.00000   108.42164   106.74284    1
  Found one species comparison        feg      1.00000   106.74284   106.74284    2
  Found one species comparison        fee      1.00000   107.05040   106.74284    3
 426 fee                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       116.76964        22.90000      1093.00000
  Found one species comparison        fea      1.00000   118.71910   116.76964    1
  Found one species comparison        feg      1.00000   116.99372   116.76964    2
  Found one species comparison        fee      1.00000   116.76964   116.76964    3
 427 fee                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       157.70770        32.20000      1354.00000
  Found one species comparison        fea      1.00000   160.29872   157.70770    1
  Found one species comparison        feg      1.00000   157.97608   157.70770    2
  Found one species comparison        fee      1.00000   157.70770   157.70770    3
 428 fee                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       208.25193        43.70000      1629.00000
  Found one species comparison        fea      1.00000   211.53821   208.25193    1
  Found one species comparison        feg      1.00000   208.74532   208.25193    2
  Found one species comparison        fee      1.00000   208.25193   208.25193    3
 429 fee                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       247.95900        54.40000      1950.00000
  Found one species comparison        fea      1.00000   251.16242   247.95900    1
  Found one species comparison        feg      1.00000   248.16315   247.95900    2
  Found one species comparison        fee      1.00000   247.95900   247.95900    3
 430 fee                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       293.39159        67.30000      2325.00000
  Found one species comparison        fea      1.00000   318.40615   293.39159    1
  Found one species comparison        feg      1.00000   293.22820   293.39159    2
  Found one species comparison        fee      1.00000   293.39159   293.39159    3
 431 fee                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       275.65466        62.20000      2179.00000
  Found one species comparison        fea      1.00000   299.38068   275.65466    1
  Found one species comparison        feg      1.00000   275.63163   275.65466    2
  Found one species comparison        fee      1.00000   275.65466   275.65466    3
 432 fee                0.00   0.00   1.00   0.00   0.00   0.00   0.00
Number of non-zero components,phases,Gapp    1    1       107.05040        22.10000      1168.00000
  Found one species comparison        fea      1.00000   108.42164   107.05040    1
  Found one species comparison        feg      1.00000   106.74284   107.05040    2
  Found one species comparison        fee      1.00000   107.05040   107.05040    3
 433 mgpvalpv           3.00   3.00   0.00   0.00   2.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    1       235.19359       137.00000      2000.00000
Found three species comparison        sp          fo          qtz      0.25000     1.00000     2.00000   300.70007   235.19359    1
Found three species comparison        sp          fo          coes     0.25000     1.00000     2.00000   295.38286   235.19359    2
Found three species comparison        sp          fo          st       0.25000     1.00000     2.00000   271.99303   235.19359    3
Found three species comparison        sp          fo          apbo     0.25000     1.00000     2.00000   271.67880   235.19359    4
Found three species comparison        sp          mgwa        qtz      0.25000     1.00000     2.00000   295.25518   235.19359    5
Found three species comparison        sp          mgwa        coes     0.25000     1.00000     2.00000   289.93797   235.19359    6
Found three species comparison        sp          mgwa        st       0.25000     1.00000     2.00000   266.54813   235.19359    7
Found three species comparison        sp          mgwa        apbo     0.25000     1.00000     2.00000   266.23391   235.19359    8
Found three species comparison        sp          mgri        qtz      0.25000     1.00000     2.00000   293.11068   235.19359    9
Found three species comparison        sp          mgri        coes     0.25000     1.00000     2.00000   287.79348   235.19359   10
Found three species comparison        sp          mgri        st       0.25000     1.00000     2.00000   264.40364   235.19359   11
Found three species comparison        sp          mgri        apbo     0.25000     1.00000     2.00000   264.08941   235.19359   12
Found three species comparison        sp          en          qtz      0.25000     1.00000     1.00000   305.19840   235.19359   13
Found three species comparison        sp          en          coes     0.25000     1.00000     1.00000   302.53980   235.19359   14
Found three species comparison        sp          en          st       0.25000     1.00000     1.00000   290.84488   235.19359   15
Found three species comparison        sp          en          apbo     0.25000     1.00000     1.00000   290.68777   235.19359   16
Found three species comparison        sp          en          ky       0.12500     1.25000     0.50000   298.11196   235.19359   17
Found three species comparison        sp          cen         qtz      0.25000     1.00000     1.00000   300.17550   235.19359   18
Found three species comparison        sp          cen         coes     0.25000     1.00000     1.00000   297.51690   235.19359   19
Found three species comparison        sp          cen         st       0.25000     1.00000     1.00000   285.82198   235.19359   20
Found three species comparison        sp          cen         apbo     0.25000     1.00000     1.00000   285.66487   235.19359   21
Found three species comparison        sp          cen         ky       0.12500     1.25000     0.50000   291.83333   235.19359   22
Found three species comparison        sp          mgc2        qtz      0.25000     1.00000     1.00000   300.61257   235.19359   23
Found three species comparison        sp          mgc2        coes     0.25000     1.00000     1.00000   297.95397   235.19359   24
Found three species comparison        sp          mgc2        st       0.25000     1.00000     1.00000   286.25905   235.19359   25
Found three species comparison        sp          mgc2        apbo     0.25000     1.00000     1.00000   286.10194   235.19359   26
Found three species comparison        sp          mgc2        ky       0.12500     1.25000     0.50000   292.37967   235.19359   27
Found three species comparison        sp          mgil        qtz      0.25000     2.00000     1.00000   278.83780   235.19359   28
Found three species comparison        sp          mgil        coes     0.25000     2.00000     1.00000   276.17919   235.19359   29
Found three species comparison        sp          mgil        st       0.25000     2.00000     1.00000   264.48427   235.19359   30
Found three species comparison        sp          mgil        apbo     0.25000     2.00000     1.00000   264.32716   235.19359   31
Found three species comparison        sp          mgil        ky       0.12500     2.50000     0.50000   265.16120   235.19359   32
Found three species comparison        sp          mgmj        qtz      0.25000     0.50000     1.00000   286.45002   235.19359   33
Found three species comparison        sp          mgmj        coes     0.25000     0.50000     1.00000   283.79142   235.19359   34
Found three species comparison        sp          mgmj        st       0.25000     0.50000     1.00000   272.09650   235.19359   35
Found three species comparison        sp          mgmj        apbo     0.25000     0.50000     1.00000   271.93939   235.19359   36
Found three species comparison        sp          mgmj        ky       0.12500     0.62500     0.50000   274.67648   235.19359   37
Found three species comparison        sp          qtz         mgpv     0.25000     1.00000     2.00000   265.08297   235.19359   38
Found three species comparison        sp          qtz         mppv     0.25000     1.00000     2.00000   263.95422   235.19359   39
Found three species comparison        sp          qtz         pe       0.25000     3.00000     0.50000   297.31068   235.19359   40
Found three species comparison        sp          coes        mgpv     0.25000     1.00000     2.00000   262.42437   235.19359   41
Found three species comparison        sp          coes        mppv     0.25000     1.00000     2.00000   261.29562   235.19359   42
Found three species comparison        sp          coes        pe       0.25000     3.00000     0.50000   289.33487   235.19359   43
Found three species comparison        sp          st          mgpv     0.25000     1.00000     2.00000   250.72945   235.19359   44
Found three species comparison        sp          st          mppv     0.25000     1.00000     2.00000   249.60070   235.19359   45
Found three species comparison        sp          st          pe       0.25000     3.00000     0.50000   254.25011   235.19359   46
Found three species comparison        sp          apbo        mgpv     0.25000     1.00000     2.00000   250.57234   235.19359   47
Found three species comparison        sp          apbo        mppv     0.25000     1.00000     2.00000   249.44359   235.19359   48
Found three species comparison        sp          apbo        pe       0.25000     3.00000     0.50000   253.77878   235.19359   49
Found three species comparison        sp          mgpv        ky       0.12500     2.50000     0.50000   247.96767   235.19359   50
Found three species comparison        sp          mppv        ky       0.12500     2.50000     0.50000   246.55673   235.19359   51
Found three species comparison        fo          en          ky       1.00000     0.50000     1.00000   286.52718   235.19359   52
Found three species comparison        fo          mgts        qtz      1.00000     1.00000     1.00000   294.79743   235.19359   53
Found three species comparison        fo          mgts        coes     1.00000     1.00000     1.00000   292.13882   235.19359   54
Found three species comparison        fo          mgts        st       1.00000     1.00000     1.00000   280.44390   235.19359   55
Found three species comparison        fo          mgts        apbo     1.00000     1.00000     1.00000   280.28679   235.19359   56
Found three species comparison        fo          cen         ky       1.00000     0.50000     1.00000   284.01573   235.19359   57
Found three species comparison        fo          mgc2        ky       1.00000     0.50000     1.00000   284.23427   235.19359   58
Found three species comparison        fo          mgil        ky       1.00000     1.00000     1.00000   273.34688   235.19359   59
Found three species comparison        fo          co          qtz      1.50000     1.00000     1.50000   291.69310   235.19359   60
Found three species comparison        fo          co          coes     1.50000     1.00000     1.50000   287.70519   235.19359   61
Found three species comparison        fo          co          st       1.50000     1.00000     1.50000   270.16281   235.19359   62
Found three species comparison        fo          co          apbo     1.50000     1.00000     1.50000   269.92715   235.19359   63
Found three species comparison        fo          mgmj        ky       1.00000     0.25000     1.00000   277.15299   235.19359   64
Found three species comparison        fo          qtz         alpv     1.50000     1.50000     1.00000   291.04791   235.19359   65
Found three species comparison        fo          qtz         appv     1.50000     1.50000     1.00000   292.75715   235.19359   66
Found three species comparison        fo          qtz         mgcf     1.00000     2.00000     1.00000   287.83509   235.19359   67
Found three species comparison        fo          qtz         ky       1.50000     0.50000     1.00000   284.27801   235.19359   68
Found three species comparison        fo          coes        alpv     1.50000     1.50000     1.00000   287.06000   235.19359   69
Found three species comparison        fo          coes        appv     1.50000     1.50000     1.00000   288.76925   235.19359   70
Found three species comparison        fo          coes        mgcf     1.00000     2.00000     1.00000   282.51789   235.19359   71
Found three species comparison        fo          coes        ky       1.50000     0.50000     1.00000   282.94871   235.19359   72
Found three species comparison        fo          st          alpv     1.50000     1.50000     1.00000   269.51762   235.19359   73
Found three species comparison        fo          st          appv     1.50000     1.50000     1.00000   271.22687   235.19359   74
Found three species comparison        fo          st          mgcf     1.00000     2.00000     1.00000   259.12805   235.19359   75
Found three species comparison        fo          st          ky       1.50000     0.50000     1.00000   277.10125   235.19359   76
Found three species comparison        fo          apbo        alpv     1.50000     1.50000     1.00000   269.28196   235.19359   77
Found three species comparison        fo          apbo        appv     1.50000     1.50000     1.00000   270.99120   235.19359   78
Found three species comparison        fo          apbo        mgcf     1.00000     2.00000     1.00000   258.81382   235.19359   79
Found three species comparison        fo          apbo        ky       1.50000     0.50000     1.00000   277.02270   235.19359   80
Found three species comparison        fo          mgpv        ky       1.00000     1.00000     1.00000   266.46947   235.19359   81
Found three species comparison        fo          mppv        ky       1.00000     1.00000     1.00000   265.90509   235.19359   82
Found three species comparison        mgwa        en          ky       1.00000     0.50000     1.00000   281.08229   235.19359   83
Found three species comparison        mgwa        mgts        qtz      1.00000     1.00000     1.00000   289.35253   235.19359   84
Found three species comparison        mgwa        mgts        coes     1.00000     1.00000     1.00000   286.69393   235.19359   85
Found three species comparison        mgwa        mgts        st       1.00000     1.00000     1.00000   274.99901   235.19359   86
Found three species comparison        mgwa        mgts        apbo     1.00000     1.00000     1.00000   274.84190   235.19359   87
Found three species comparison        mgwa        cen         ky       1.00000     0.50000     1.00000   278.57084   235.19359   88
Found three species comparison        mgwa        mgc2        ky       1.00000     0.50000     1.00000   278.78937   235.19359   89
Found three species comparison        mgwa        mgil        ky       1.00000     1.00000     1.00000   267.90198   235.19359   90
Found three species comparison        mgwa        co          qtz      1.50000     1.00000     1.50000   283.52576   235.19359   91
Found three species comparison        mgwa        co          coes     1.50000     1.00000     1.50000   279.53786   235.19359   92
Found three species comparison        mgwa        co          st       1.50000     1.00000     1.50000   261.99548   235.19359   93
Found three species comparison        mgwa        co          apbo     1.50000     1.00000     1.50000   261.75981   235.19359   94
Found three species comparison        mgwa        mgmj        ky       1.00000     0.25000     1.00000   271.70810   235.19359   95
Found three species comparison        mgwa        qtz         alpv     1.50000     1.50000     1.00000   282.88057   235.19359   96
Found three species comparison        mgwa        qtz         appv     1.50000     1.50000     1.00000   284.58981   235.19359   97
Found three species comparison        mgwa        qtz         mgcf     1.00000     2.00000     1.00000   282.39020   235.19359   98
Found three species comparison        mgwa        qtz         ky       1.50000     0.50000     1.00000   276.11067   235.19359   99
Found three species comparison        mgwa        coes        alpv     1.50000     1.50000     1.00000   278.89267   235.19359  100
Found three species comparison        mgwa        coes        appv     1.50000     1.50000     1.00000   280.60191   235.19359  101
Found three species comparison        mgwa        coes        mgcf     1.00000     2.00000     1.00000   277.07299   235.19359  102
Found three species comparison        mgwa        coes        ky       1.50000     0.50000     1.00000   274.78137   235.19359  103
Found three species comparison        mgwa        st          alpv     1.50000     1.50000     1.00000   261.35029   235.19359  104
Found three species comparison        mgwa        st          appv     1.50000     1.50000     1.00000   263.05953   235.19359  105
Found three species comparison        mgwa        st          mgcf     1.00000     2.00000     1.00000   253.68316   235.19359  106
Found three species comparison        mgwa        st          ky       1.50000     0.50000     1.00000   268.93391   235.19359  107
Found three species comparison        mgwa        apbo        alpv     1.50000     1.50000     1.00000   261.11462   235.19359  108
Found three species comparison        mgwa        apbo        appv     1.50000     1.50000     1.00000   262.82386   235.19359  109
Found three species comparison        mgwa        apbo        mgcf     1.00000     2.00000     1.00000   253.36893   235.19359  110
Found three species comparison        mgwa        apbo        ky       1.50000     0.50000     1.00000   268.85536   235.19359  111
Found three species comparison        mgwa        mgpv        ky       1.00000     1.00000     1.00000   261.02457   235.19359  112
Found three species comparison        mgwa        mppv        ky       1.00000     1.00000     1.00000   260.46020   235.19359  113
Found three species comparison        mgri        en          ky       1.00000     0.50000     1.00000   278.93779   235.19359  114
Found three species comparison        mgri        mgts        qtz      1.00000     1.00000     1.00000   287.20804   235.19359  115
Found three species comparison        mgri        mgts        coes     1.00000     1.00000     1.00000   284.54944   235.19359  116
Found three species comparison        mgri        mgts        st       1.00000     1.00000     1.00000   272.85452   235.19359  117
Found three species comparison        mgri        mgts        apbo     1.00000     1.00000     1.00000   272.69740   235.19359  118
Found three species comparison        mgri        cen         ky       1.00000     0.50000     1.00000   276.42634   235.19359  119
Found three species comparison        mgri        mgc2        ky       1.00000     0.50000     1.00000   276.64488   235.19359  120
Found three species comparison        mgri        mgil        ky       1.00000     1.00000     1.00000   265.75749   235.19359  121
Found three species comparison        mgri        co          qtz      1.50000     1.00000     1.50000   280.30901   235.19359  122
Found three species comparison        mgri        co          coes     1.50000     1.00000     1.50000   276.32111   235.19359  123
Found three species comparison        mgri        co          st       1.50000     1.00000     1.50000   258.77873   235.19359  124
Found three species comparison        mgri        co          apbo     1.50000     1.00000     1.50000   258.54306   235.19359  125
Found three species comparison        mgri        mgmj        ky       1.00000     0.25000     1.00000   269.56360   235.19359  126
Found three species comparison        mgri        qtz         alpv     1.50000     1.50000     1.00000   279.66382   235.19359  127
Found three species comparison        mgri        qtz         appv     1.50000     1.50000     1.00000   281.37307   235.19359  128
Found three species comparison        mgri        qtz         mgcf     1.00000     2.00000     1.00000   280.24570   235.19359  129
Found three species comparison        mgri        qtz         ky       1.50000     0.50000     1.00000   272.89393   235.19359  130
Found three species comparison        mgri        coes        alpv     1.50000     1.50000     1.00000   275.67592   235.19359  131
Found three species comparison        mgri        coes        appv     1.50000     1.50000     1.00000   277.38517   235.19359  132
Found three species comparison        mgri        coes        mgcf     1.00000     2.00000     1.00000   274.92850   235.19359  133
Found three species comparison        mgri        coes        ky       1.50000     0.50000     1.00000   271.56463   235.19359  134
Found three species comparison        mgri        st          alpv     1.50000     1.50000     1.00000   258.13354   235.19359  135
Found three species comparison        mgri        st          appv     1.50000     1.50000     1.00000   259.84279   235.19359  136
Found three species comparison        mgri        st          mgcf     1.00000     2.00000     1.00000   251.53866   235.19359  137
Found three species comparison        mgri        st          ky       1.50000     0.50000     1.00000   265.71717   235.19359  138
Found three species comparison        mgri        apbo        alpv     1.50000     1.50000     1.00000   257.89787   235.19359  139
Found three species comparison        mgri        apbo        appv     1.50000     1.50000     1.00000   259.60712   235.19359  140
Found three species comparison        mgri        apbo        mgcf     1.00000     2.00000     1.00000   251.22443   235.19359  141
Found three species comparison        mgri        apbo        ky       1.50000     0.50000     1.00000   265.63861   235.19359  142
Found three species comparison        mgri        mgpv        ky       1.00000     1.00000     1.00000   258.88008   235.19359  143
Found three species comparison        mgri        mppv        ky       1.00000     1.00000     1.00000   258.31570   235.19359  144
  Found two species comparison        en          mgts     1.00000     1.00000   298.14313   235.19359  145
  Found two species comparison        en          co       1.50000     1.00000   298.44059   235.19359  146
Found three species comparison        en          qtz         mgcf     1.00000     1.00000     1.00000   292.33342   235.19359  147
Found three species comparison        en          coes        mgcf     1.00000     1.00000     1.00000   289.67482   235.19359  148
Found three species comparison        en          st          mgcf     1.00000     1.00000     1.00000   277.97990   235.19359  149
Found three species comparison        en          apbo        mgcf     1.00000     1.00000     1.00000   277.82279   235.19359  150
  Found two species comparison        en          alpv     1.50000     1.00000   297.79540   235.19359  151
  Found two species comparison        en          appv     1.50000     1.00000   299.50465   235.19359  152
Found three species comparison        en          pe          ky       1.00000     0.25000     1.00000   287.08165   235.19359  153
Found three species comparison        en          mgcf        ky       1.25000     0.50000     0.50000   291.67947   235.19359  154
  Found two species comparison        mgts        cen      1.00000     1.00000   294.27286   235.19359  155
  Found two species comparison        mgts        mgc2     1.00000     1.00000   294.70993   235.19359  156
  Found two species comparison        mgts        mgil     1.00000     2.00000   272.93515   235.19359  157
  Found two species comparison        mgts        mgmj     1.00000     0.50000   280.54738   235.19359  158
Found three species comparison        mgts        qtz         pe       1.00000     2.00000     0.50000   291.40803   235.19359  159
Found three species comparison        mgts        coes        pe       1.00000     2.00000     0.50000   286.09083   235.19359  160
Found three species comparison        mgts        st          pe       1.00000     2.00000     0.50000   262.70099   235.19359  161
Found three species comparison        mgts        apbo        pe       1.00000     2.00000     0.50000   262.38677   235.19359  162
  Found two species comparison        mgts        mgpv     1.00000     2.00000   259.18033   235.19359  163
  Found two species comparison        mgts        mppv     1.00000     2.00000   258.05158   235.19359  164
  Found two species comparison        cen         co       1.50000     1.00000   290.90625   235.19359  165
Found three species comparison        cen         qtz         mgcf     1.00000     1.00000     1.00000   287.31053   235.19359  166
Found three species comparison        cen         coes        mgcf     1.00000     1.00000     1.00000   284.65192   235.19359  167
Found three species comparison        cen         st          mgcf     1.00000     1.00000     1.00000   272.95700   235.19359  168
Found three species comparison        cen         apbo        mgcf     1.00000     1.00000     1.00000   272.79989   235.19359  169
  Found two species comparison        cen         alpv     1.50000     1.00000   290.26106   235.19359  170
  Found two species comparison        cen         appv     1.50000     1.00000   291.97031   235.19359  171
Found three species comparison        cen         pe          ky       1.00000     0.25000     1.00000   282.05875   235.19359  172
Found three species comparison        cen         mgcf        ky       1.25000     0.50000     0.50000   285.40085   235.19359  173
  Found two species comparison        mgc2        co       1.50000     1.00000   291.56185   235.19359  174
Found three species comparison        mgc2        qtz         mgcf     1.00000     1.00000     1.00000   287.74760   235.19359  175
Found three species comparison        mgc2        coes        mgcf     1.00000     1.00000     1.00000   285.08899   235.19359  176
Found three species comparison        mgc2        st          mgcf     1.00000     1.00000     1.00000   273.39408   235.19359  177
Found three species comparison        mgc2        apbo        mgcf     1.00000     1.00000     1.00000   273.23696   235.19359  178
  Found two species comparison        mgc2        alpv     1.50000     1.00000   290.91667   235.19359  179
  Found two species comparison        mgc2        appv     1.50000     1.00000   292.62591   235.19359  180
Found three species comparison        mgc2        pe          ky       1.00000     0.25000     1.00000   282.49582   235.19359  181
Found three species comparison        mgc2        mgcf        ky       1.25000     0.50000     0.50000   285.94718   235.19359  182
  Found two species comparison        mgil        co       3.00000     1.00000   257.38485   235.19359  183
Found three species comparison        mgil        qtz         mgcf     2.00000     1.00000     1.00000   265.97282   235.19359  184
Found three species comparison        mgil        coes        mgcf     2.00000     1.00000     1.00000   263.31422   235.19359  185
Found three species comparison        mgil        st          mgcf     2.00000     1.00000     1.00000   251.61930   235.19359  186
Found three species comparison        mgil        apbo        mgcf     2.00000     1.00000     1.00000   251.46218   235.19359  187
  Found two species comparison        mgil        alpv     3.00000     1.00000   258.25450   235.19359  188
  Found two species comparison        mgil        appv     3.00000     1.00000   259.96374   235.19359  189
Found three species comparison        mgil        pe          ky       2.00000     0.25000     1.00000   260.72104   235.19359  190
Found three species comparison        mgil        mgcf        ky       2.50000     0.50000     0.50000   258.72871   235.19359  191
  Found two species comparison        co          mgmj     1.00000     0.75000   270.31802   235.19359  192
Found three species comparison        co          qtz         pe       1.00000     3.00000     0.75000   286.60901   235.19359  193
Found three species comparison        co          coes        pe       1.00000     3.00000     0.75000   278.63320   235.19359  194
Found three species comparison        co          st          pe       1.00000     3.00000     0.75000   243.54845   235.19359  195
Found three species comparison        co          apbo        pe       1.00000     3.00000     0.75000   243.07711   235.19359  196
  Found two species comparison        co          mgpv     1.00000     3.00000   238.26746   235.19359  197
  Found two species comparison        co          mppv     1.00000     3.00000   236.57433   235.19359  198
  Found one species comparison        py       1.00000   269.10059   235.19359  199
Found three species comparison        mgmj        qtz         mgcf     0.50000     1.00000     1.00000   273.58504   235.19359  200
Found three species comparison        mgmj        coes        mgcf     0.50000     1.00000     1.00000   270.92644   235.19359  201
Found three species comparison        mgmj        st          mgcf     0.50000     1.00000     1.00000   259.23152   235.19359  202
Found three species comparison        mgmj        apbo        mgcf     0.50000     1.00000     1.00000   259.07441   235.19359  203
  Found two species comparison        mgmj        alpv     0.75000     1.00000   269.67283   235.19359  204
  Found two species comparison        mgmj        appv     0.75000     1.00000   271.38208   235.19359  205
Found three species comparison        mgmj        pe          ky       0.50000     0.25000     1.00000   268.33327   235.19359  206
Found three species comparison        mgmj        mgcf        ky       0.62500     0.50000     0.50000   268.24399   235.19359  207
Found three species comparison        qtz         mgpv        mgcf     1.00000     2.00000     1.00000   252.21800   235.19359  208
Found three species comparison        qtz         alpv        pe       3.00000     1.00000     0.75000   285.96382   235.19359  209
Found three species comparison        qtz         mppv        mgcf     1.00000     2.00000     1.00000   251.08924   235.19359  210
Found three species comparison        qtz         appv        pe       3.00000     1.00000     0.75000   287.67307   235.19359  211
Found three species comparison        qtz         pe          mgcf     3.00000     0.50000     1.00000   284.44570   235.19359  212
Found three species comparison        qtz         pe          ky       2.00000     0.75000     1.00000   279.19393   235.19359  213
Found three species comparison        coes        mgpv        mgcf     1.00000     2.00000     1.00000   249.55939   235.19359  214
Found three species comparison        coes        alpv        pe       3.00000     1.00000     0.75000   277.98801   235.19359  215
Found three species comparison        coes        mppv        mgcf     1.00000     2.00000     1.00000   248.43064   235.19359  216
Found three species comparison        coes        appv        pe       3.00000     1.00000     0.75000   279.69726   235.19359  217
Found three species comparison        coes        pe          mgcf     3.00000     0.50000     1.00000   276.46989   235.19359  218
Found three species comparison        coes        pe          ky       2.00000     0.75000     1.00000   273.87672   235.19359  219
Found three species comparison        st          mgpv        mgcf     1.00000     2.00000     1.00000   237.86448   235.19359  220
Found three species comparison        st          alpv        pe       3.00000     1.00000     0.75000   242.90326   235.19359  221
Found three species comparison        st          mppv        mgcf     1.00000     2.00000     1.00000   236.73572   235.19359  222
Found three species comparison        st          appv        pe       3.00000     1.00000     0.75000   244.61250   235.19359  223
Found three species comparison        st          pe          mgcf     3.00000     0.50000     1.00000   241.38514   235.19359  224
Found three species comparison        st          pe          ky       2.00000     0.75000     1.00000   250.48688   235.19359  225
Found three species comparison        apbo        mgpv        mgcf     1.00000     2.00000     1.00000   237.70736   235.19359  226
Found three species comparison        apbo        alpv        pe       3.00000     1.00000     0.75000   242.43192   235.19359  227
Found three species comparison        apbo        mppv        mgcf     1.00000     2.00000     1.00000   236.57861   235.19359  228
Found three species comparison        apbo        appv        pe       3.00000     1.00000     0.75000   244.14117   235.19359  229
Found three species comparison        apbo        pe          mgcf     3.00000     0.50000     1.00000   240.91380   235.19359  230
Found three species comparison        apbo        pe          ky       2.00000     0.75000     1.00000   250.17266   235.19359  231
  Found two species comparison        mgpv        alpv     3.00000     1.00000   235.19359   235.19359  232
  Found two species comparison        mgpv        appv     3.00000     1.00000   239.33151   235.19359  233
Found three species comparison        mgpv        pe          ky       2.00000     0.25000     1.00000   246.96622   235.19359  234
Found three species comparison        mgpv        mgcf        ky       2.50000     0.50000     0.50000   241.53518   235.19359  235
  Found two species comparison        alpv        mppv     1.00000     3.00000   235.92914   235.19359  236
  Found two species comparison        mppv        appv     3.00000     1.00000   235.21047   235.19359  237
Found three species comparison        mppv        pe          ky       2.00000     0.25000     1.00000   245.83747   235.19359  238
Found three species comparison        mppv        mgcf        ky       2.50000     0.50000     0.50000   240.12424   235.19359  239
 434 mppvappv           3.00   3.00   0.00   0.00   2.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    1       369.11832       175.00000      2000.00000
Found three species comparison        sp          fo          qtz      0.25000     1.00000     2.00000   452.21311   369.11832    1
Found three species comparison        sp          fo          coes     0.25000     1.00000     2.00000   439.43306   369.11832    2
Found three species comparison        sp          fo          st       0.25000     1.00000     2.00000   418.37893   369.11832    3
Found three species comparison        sp          fo          apbo     0.25000     1.00000     2.00000   417.52388   369.11832    4
Found three species comparison        sp          mgwa        qtz      0.25000     1.00000     2.00000   446.03156   369.11832    5
Found three species comparison        sp          mgwa        coes     0.25000     1.00000     2.00000   433.25152   369.11832    6
Found three species comparison        sp          mgwa        st       0.25000     1.00000     2.00000   412.19738   369.11832    7
Found three species comparison        sp          mgwa        apbo     0.25000     1.00000     2.00000   411.34233   369.11832    8
Found three species comparison        sp          mgri        qtz      0.25000     1.00000     2.00000   443.71068   369.11832    9
Found three species comparison        sp          mgri        coes     0.25000     1.00000     2.00000   430.93064   369.11832   10
Found three species comparison        sp          mgri        st       0.25000     1.00000     2.00000   409.87651   369.11832   11
Found three species comparison        sp          mgri        apbo     0.25000     1.00000     2.00000   409.02146   369.11832   12
Found three species comparison        sp          en          qtz      0.25000     1.00000     1.00000   461.44173   369.11832   13
Found three species comparison        sp          en          coes     0.25000     1.00000     1.00000   455.05170   369.11832   14
Found three species comparison        sp          en          st       0.25000     1.00000     1.00000   444.52464   369.11832   15
Found three species comparison        sp          en          apbo     0.25000     1.00000     1.00000   444.09711   369.11832   16
Found three species comparison        sp          en          ky       0.12500     1.25000     0.50000   452.95861   369.11832   17
Found three species comparison        sp          cen         qtz      0.25000     1.00000     1.00000   452.43718   369.11832   18
Found three species comparison        sp          cen         coes     0.25000     1.00000     1.00000   446.04716   369.11832   19
Found three species comparison        sp          cen         st       0.25000     1.00000     1.00000   435.52009   369.11832   20
Found three species comparison        sp          cen         apbo     0.25000     1.00000     1.00000   435.09257   369.11832   21
Found three species comparison        sp          cen         ky       0.12500     1.25000     0.50000   441.70293   369.11832   22
Found three species comparison        sp          mgc2        qtz      0.25000     1.00000     1.00000   454.92629   369.11832   23
Found three species comparison        sp          mgc2        coes     0.25000     1.00000     1.00000   448.53627   369.11832   24
Found three species comparison        sp          mgc2        st       0.25000     1.00000     1.00000   438.00920   369.11832   25
Found three species comparison        sp          mgc2        apbo     0.25000     1.00000     1.00000   437.58167   369.11832   26
Found three species comparison        sp          mgc2        ky       0.12500     1.25000     0.50000   444.81431   369.11832   27
Found three species comparison        sp          mgil        qtz      0.25000     2.00000     1.00000   428.09444   369.11832   28
Found three species comparison        sp          mgil        coes     0.25000     2.00000     1.00000   421.70442   369.11832   29
Found three species comparison        sp          mgil        st       0.25000     2.00000     1.00000   411.17735   369.11832   30
Found three species comparison        sp          mgil        apbo     0.25000     2.00000     1.00000   410.74982   369.11832   31
Found three species comparison        sp          mgil        ky       0.12500     2.50000     0.50000   411.27450   369.11832   32
Found three species comparison        sp          mgmj        qtz      0.25000     0.50000     1.00000   435.73526   369.11832   33
Found three species comparison        sp          mgmj        coes     0.25000     0.50000     1.00000   429.34524   369.11832   34
Found three species comparison        sp          mgmj        st       0.25000     0.50000     1.00000   418.81817   369.11832   35
Found three species comparison        sp          mgmj        apbo     0.25000     0.50000     1.00000   418.39064   369.11832   36
Found three species comparison        sp          mgmj        ky       0.12500     0.62500     0.50000   420.82553   369.11832   37
Found three species comparison        sp          qtz         mgpv     0.25000     1.00000     2.00000   409.63123   369.11832   38
Found three species comparison        sp          qtz         mppv     0.25000     1.00000     2.00000   406.97108   369.11832   39
Found three species comparison        sp          qtz         pe       0.25000     3.00000     0.50000   447.33577   369.11832   40
Found three species comparison        sp          coes        mgpv     0.25000     1.00000     2.00000   403.24120   369.11832   41
Found three species comparison        sp          coes        mppv     0.25000     1.00000     2.00000   400.58106   369.11832   42
Found three species comparison        sp          coes        pe       0.25000     3.00000     0.50000   428.16571   369.11832   43
Found three species comparison        sp          st          mgpv     0.25000     1.00000     2.00000   392.71414   369.11832   44
Found three species comparison        sp          st          mppv     0.25000     1.00000     2.00000   390.05399   369.11832   45
Found three species comparison        sp          st          pe       0.25000     3.00000     0.50000   396.58451   369.11832   46
Found three species comparison        sp          apbo        mgpv     0.25000     1.00000     2.00000   392.28661   369.11832   47
Found three species comparison        sp          apbo        mppv     0.25000     1.00000     2.00000   389.62646   369.11832   48
Found three species comparison        sp          apbo        pe       0.25000     3.00000     0.50000   395.30193   369.11832   49
Found three species comparison        sp          mgpv        ky       0.12500     2.50000     0.50000   388.19548   369.11832   50
Found three species comparison        sp          mppv        ky       0.12500     2.50000     0.50000   384.87030   369.11832   51
Found three species comparison        fo          en          ky       1.00000     0.50000     1.00000   435.24687   369.11832   52
Found three species comparison        fo          mgts        qtz      1.00000     1.00000     1.00000   446.11045   369.11832   53
Found three species comparison        fo          mgts        coes     1.00000     1.00000     1.00000   439.72043   369.11832   54
Found three species comparison        fo          mgts        st       1.00000     1.00000     1.00000   429.19336   369.11832   55
Found three species comparison        fo          mgts        apbo     1.00000     1.00000     1.00000   428.76584   369.11832   56
Found three species comparison        fo          cen         ky       1.00000     0.50000     1.00000   430.74460   369.11832   57
Found three species comparison        fo          mgc2        ky       1.00000     0.50000     1.00000   431.98915   369.11832   58
Found three species comparison        fo          mgil        ky       1.00000     1.00000     1.00000   418.57323   369.11832   59
Found three species comparison        fo          co          qtz      1.50000     1.00000     1.50000   440.49816   369.11832   60
Found three species comparison        fo          co          coes     1.50000     1.00000     1.50000   430.91313   369.11832   61
Found three species comparison        fo          co          st       1.50000     1.00000     1.50000   415.12253   369.11832   62
Found three species comparison        fo          co          apbo     1.50000     1.00000     1.50000   414.48124   369.11832   63
Found three species comparison        fo          mgmj        ky       1.00000     0.25000     1.00000   422.39364   369.11832   64
Found three species comparison        fo          qtz         alpv     1.50000     1.50000     1.00000   439.12206   369.11832   65
Found three species comparison        fo          qtz         appv     1.50000     1.50000     1.00000   439.40929   369.11832   66
Found three species comparison        fo          qtz         mgcf     1.00000     2.00000     1.00000   435.26726   369.11832   67
Found three species comparison        fo          qtz         ky       1.50000     0.50000     1.00000   430.63256   369.11832   68
Found three species comparison        fo          coes        alpv     1.50000     1.50000     1.00000   429.53702   369.11832   69
Found three species comparison        fo          coes        appv     1.50000     1.50000     1.00000   429.82425   369.11832   70
Found three species comparison        fo          coes        mgcf     1.00000     2.00000     1.00000   422.48722   369.11832   71
Found three species comparison        fo          coes        ky       1.50000     0.50000     1.00000   427.43755   369.11832   72
Found three species comparison        fo          st          alpv     1.50000     1.50000     1.00000   413.74642   369.11832   73
Found three species comparison        fo          st          appv     1.50000     1.50000     1.00000   414.03365   369.11832   74
Found three species comparison        fo          st          mgcf     1.00000     2.00000     1.00000   401.43309   369.11832   75
Found three species comparison        fo          st          ky       1.50000     0.50000     1.00000   422.17402   369.11832   76
Found three species comparison        fo          apbo        alpv     1.50000     1.50000     1.00000   413.10513   369.11832   77
Found three species comparison        fo          apbo        appv     1.50000     1.50000     1.00000   413.39236   369.11832   78
Found three species comparison        fo          apbo        mgcf     1.00000     2.00000     1.00000   400.57803   369.11832   79
Found three species comparison        fo          apbo        ky       1.50000     0.50000     1.00000   421.96026   369.11832   80
Found three species comparison        fo          mgpv        ky       1.00000     1.00000     1.00000   409.34162   369.11832   81
Found three species comparison        fo          mppv        ky       1.00000     1.00000     1.00000   408.01155   369.11832   82
Found three species comparison        mgwa        en          ky       1.00000     0.50000     1.00000   429.06532   369.11832   83
Found three species comparison        mgwa        mgts        qtz      1.00000     1.00000     1.00000   439.92890   369.11832   84
Found three species comparison        mgwa        mgts        coes     1.00000     1.00000     1.00000   433.53888   369.11832   85
Found three species comparison        mgwa        mgts        st       1.00000     1.00000     1.00000   423.01182   369.11832   86
Found three species comparison        mgwa        mgts        apbo     1.00000     1.00000     1.00000   422.58429   369.11832   87
Found three species comparison        mgwa        cen         ky       1.00000     0.50000     1.00000   424.56305   369.11832   88
Found three species comparison        mgwa        mgc2        ky       1.00000     0.50000     1.00000   425.80760   369.11832   89
Found three species comparison        mgwa        mgil        ky       1.00000     1.00000     1.00000   412.39168   369.11832   90
Found three species comparison        mgwa        co          qtz      1.50000     1.00000     1.50000   431.22584   369.11832   91
Found three species comparison        mgwa        co          coes     1.50000     1.00000     1.50000   421.64080   369.11832   92
Found three species comparison        mgwa        co          st       1.50000     1.00000     1.50000   405.85020   369.11832   93
Found three species comparison        mgwa        co          apbo     1.50000     1.00000     1.50000   405.20891   369.11832   94
Found three species comparison        mgwa        mgmj        ky       1.00000     0.25000     1.00000   416.21209   369.11832   95
Found three species comparison        mgwa        qtz         alpv     1.50000     1.50000     1.00000   429.84973   369.11832   96
Found three species comparison        mgwa        qtz         appv     1.50000     1.50000     1.00000   430.13696   369.11832   97
Found three species comparison        mgwa        qtz         mgcf     1.00000     2.00000     1.00000   429.08571   369.11832   98
Found three species comparison        mgwa        qtz         ky       1.50000     0.50000     1.00000   421.36024   369.11832   99
Found three species comparison        mgwa        coes        alpv     1.50000     1.50000     1.00000   420.26470   369.11832  100
Found three species comparison        mgwa        coes        appv     1.50000     1.50000     1.00000   420.55193   369.11832  101
Found three species comparison        mgwa        coes        mgcf     1.00000     2.00000     1.00000   416.30567   369.11832  102
Found three species comparison        mgwa        coes        ky       1.50000     0.50000     1.00000   418.16523   369.11832  103
Found three species comparison        mgwa        st          alpv     1.50000     1.50000     1.00000   404.47410   369.11832  104
Found three species comparison        mgwa        st          appv     1.50000     1.50000     1.00000   404.76133   369.11832  105
Found three species comparison        mgwa        st          mgcf     1.00000     2.00000     1.00000   395.25154   369.11832  106
Found three species comparison        mgwa        st          ky       1.50000     0.50000     1.00000   412.90170   369.11832  107
Found three species comparison        mgwa        apbo        alpv     1.50000     1.50000     1.00000   403.83281   369.11832  108
Found three species comparison        mgwa        apbo        appv     1.50000     1.50000     1.00000   404.12004   369.11832  109
Found three species comparison        mgwa        apbo        mgcf     1.00000     2.00000     1.00000   394.39649   369.11832  110
Found three species comparison        mgwa        apbo        ky       1.50000     0.50000     1.00000   412.68793   369.11832  111
Found three species comparison        mgwa        mgpv        ky       1.00000     1.00000     1.00000   403.16007   369.11832  112
Found three species comparison        mgwa        mppv        ky       1.00000     1.00000     1.00000   401.83000   369.11832  113
Found three species comparison        mgri        en          ky       1.00000     0.50000     1.00000   426.74445   369.11832  114
Found three species comparison        mgri        mgts        qtz      1.00000     1.00000     1.00000   437.60803   369.11832  115
Found three species comparison        mgri        mgts        coes     1.00000     1.00000     1.00000   431.21801   369.11832  116
Found three species comparison        mgri        mgts        st       1.00000     1.00000     1.00000   420.69094   369.11832  117
Found three species comparison        mgri        mgts        apbo     1.00000     1.00000     1.00000   420.26342   369.11832  118
Found three species comparison        mgri        cen         ky       1.00000     0.50000     1.00000   422.24218   369.11832  119
Found three species comparison        mgri        mgc2        ky       1.00000     0.50000     1.00000   423.48673   369.11832  120
Found three species comparison        mgri        mgil        ky       1.00000     1.00000     1.00000   410.07081   369.11832  121
Found three species comparison        mgri        co          qtz      1.50000     1.00000     1.50000   427.74453   369.11832  122
Found three species comparison        mgri        co          coes     1.50000     1.00000     1.50000   418.15950   369.11832  123
Found three species comparison        mgri        co          st       1.50000     1.00000     1.50000   402.36890   369.11832  124
Found three species comparison        mgri        co          apbo     1.50000     1.00000     1.50000   401.72761   369.11832  125
Found three species comparison        mgri        mgmj        ky       1.00000     0.25000     1.00000   413.89122   369.11832  126
Found three species comparison        mgri        qtz         alpv     1.50000     1.50000     1.00000   426.36842   369.11832  127
Found three species comparison        mgri        qtz         appv     1.50000     1.50000     1.00000   426.65565   369.11832  128
Found three species comparison        mgri        qtz         mgcf     1.00000     2.00000     1.00000   426.76484   369.11832  129
Found three species comparison        mgri        qtz         ky       1.50000     0.50000     1.00000   417.87893   369.11832  130
Found three species comparison        mgri        coes        alpv     1.50000     1.50000     1.00000   416.78339   369.11832  131
Found three species comparison        mgri        coes        appv     1.50000     1.50000     1.00000   417.07062   369.11832  132
Found three species comparison        mgri        coes        mgcf     1.00000     2.00000     1.00000   413.98480   369.11832  133
Found three species comparison        mgri        coes        ky       1.50000     0.50000     1.00000   414.68392   369.11832  134
Found three species comparison        mgri        st          alpv     1.50000     1.50000     1.00000   400.99279   369.11832  135
Found three species comparison        mgri        st          appv     1.50000     1.50000     1.00000   401.28002   369.11832  136
Found three species comparison        mgri        st          mgcf     1.00000     2.00000     1.00000   392.93067   369.11832  137
Found three species comparison        mgri        st          ky       1.50000     0.50000     1.00000   409.42039   369.11832  138
Found three species comparison        mgri        apbo        alpv     1.50000     1.50000     1.00000   400.35150   369.11832  139
Found three species comparison        mgri        apbo        appv     1.50000     1.50000     1.00000   400.63873   369.11832  140
Found three species comparison        mgri        apbo        mgcf     1.00000     2.00000     1.00000   392.07561   369.11832  141
Found three species comparison        mgri        apbo        ky       1.50000     0.50000     1.00000   409.20662   369.11832  142
Found three species comparison        mgri        mgpv        ky       1.00000     1.00000     1.00000   400.83920   369.11832  143
Found three species comparison        mgri        mppv        ky       1.00000     1.00000     1.00000   399.50913   369.11832  144
  Found two species comparison        en          mgts     1.00000     1.00000   454.18644   369.11832  145
  Found two species comparison        en          co       1.50000     1.00000   454.34109   369.11832  146
Found three species comparison        en          qtz         mgcf     1.00000     1.00000     1.00000   444.49588   369.11832  147
Found three species comparison        en          coes        mgcf     1.00000     1.00000     1.00000   438.10586   369.11832  148
Found three species comparison        en          st          mgcf     1.00000     1.00000     1.00000   427.57879   369.11832  149
Found three species comparison        en          apbo        mgcf     1.00000     1.00000     1.00000   427.15127   369.11832  150
  Found two species comparison        en          alpv     1.50000     1.00000   452.96499   369.11832  151
  Found two species comparison        en          appv     1.50000     1.00000   453.25221   369.11832  152
Found three species comparison        en          pe          ky       1.00000     0.25000     1.00000   437.42252   369.11832  153
Found three species comparison        en          mgcf        ky       1.25000     0.50000     0.50000   444.48569   369.11832  154
  Found two species comparison        mgts        cen      1.00000     1.00000   446.33453   369.11832  155
  Found two species comparison        mgts        mgc2     1.00000     1.00000   448.82363   369.11832  156
  Found two species comparison        mgts        mgil     1.00000     2.00000   421.99178   369.11832  157
  Found two species comparison        mgts        mgmj     1.00000     0.50000   429.63261   369.11832  158
Found three species comparison        mgts        qtz         pe       1.00000     2.00000     0.50000   441.23312   369.11832  159
Found three species comparison        mgts        coes        pe       1.00000     2.00000     0.50000   428.45308   369.11832  160
Found three species comparison        mgts        st          pe       1.00000     2.00000     0.50000   407.39894   369.11832  161
Found three species comparison        mgts        apbo        pe       1.00000     2.00000     0.50000   406.54389   369.11832  162
  Found two species comparison        mgts        mgpv     1.00000     2.00000   403.52857   369.11832  163
  Found two species comparison        mgts        mppv     1.00000     2.00000   400.86842   369.11832  164
  Found two species comparison        cen         co       1.50000     1.00000   440.83427   369.11832  165
Found three species comparison        cen         qtz         mgcf     1.00000     1.00000     1.00000   435.49134   369.11832  166
Found three species comparison        cen         coes        mgcf     1.00000     1.00000     1.00000   429.10132   369.11832  167
Found three species comparison        cen         st          mgcf     1.00000     1.00000     1.00000   418.57425   369.11832  168
Found three species comparison        cen         apbo        mgcf     1.00000     1.00000     1.00000   418.14673   369.11832  169
  Found two species comparison        cen         alpv     1.50000     1.00000   439.45817   369.11832  170
  Found two species comparison        cen         appv     1.50000     1.00000   439.74540   369.11832  171
Found three species comparison        cen         pe          ky       1.00000     0.25000     1.00000   428.41797   369.11832  172
Found three species comparison        cen         mgcf        ky       1.25000     0.50000     0.50000   433.23001   369.11832  173
  Found two species comparison        mgc2        co       1.50000     1.00000   444.56793   369.11832  174
Found three species comparison        mgc2        qtz         mgcf     1.00000     1.00000     1.00000   437.98044   369.11832  175
Found three species comparison        mgc2        coes        mgcf     1.00000     1.00000     1.00000   431.59042   369.11832  176
Found three species comparison        mgc2        st          mgcf     1.00000     1.00000     1.00000   421.06335   369.11832  177
Found three species comparison        mgc2        apbo        mgcf     1.00000     1.00000     1.00000   420.63583   369.11832  178
  Found two species comparison        mgc2        alpv     1.50000     1.00000   443.19183   369.11832  179
  Found two species comparison        mgc2        appv     1.50000     1.00000   443.47906   369.11832  180
Found three species comparison        mgc2        pe          ky       1.00000     0.25000     1.00000   430.90708   369.11832  181
Found three species comparison        mgc2        mgcf        ky       1.25000     0.50000     0.50000   436.34139   369.11832  182
  Found two species comparison        mgil        co       3.00000     1.00000   402.80532   369.11832  183
Found three species comparison        mgil        qtz         mgcf     2.00000     1.00000     1.00000   411.14859   369.11832  184
Found three species comparison        mgil        coes        mgcf     2.00000     1.00000     1.00000   404.75857   369.11832  185
Found three species comparison        mgil        st          mgcf     2.00000     1.00000     1.00000   394.23151   369.11832  186
Found three species comparison        mgil        apbo        mgcf     2.00000     1.00000     1.00000   393.80398   369.11832  187
  Found two species comparison        mgil        alpv     3.00000     1.00000   402.94405   369.11832  188
  Found two species comparison        mgil        appv     3.00000     1.00000   403.23128   369.11832  189
Found three species comparison        mgil        pe          ky       2.00000     0.25000     1.00000   404.07523   369.11832  190
Found three species comparison        mgil        mgcf        ky       2.50000     0.50000     0.50000   402.80158   369.11832  191
  Found two species comparison        co          mgmj     1.00000     0.75000   415.78139   369.11832  192
Found three species comparison        co          qtz         pe       1.00000     3.00000     0.75000   433.18216   369.11832  193
Found three species comparison        co          coes        pe       1.00000     3.00000     0.75000   414.01210   369.11832  194
Found three species comparison        co          st          pe       1.00000     3.00000     0.75000   382.43090   369.11832  195
Found three species comparison        co          apbo        pe       1.00000     3.00000     0.75000   381.14832   369.11832  196
  Found two species comparison        co          mgpv     1.00000     3.00000   376.62534   369.11832  197
  Found two species comparison        co          mppv     1.00000     3.00000   372.63511   369.11832  198
  Found one species comparison        py       1.00000   414.57118   369.11832  199
Found three species comparison        mgmj        qtz         mgcf     0.50000     1.00000     1.00000   418.78942   369.11832  200
Found three species comparison        mgmj        coes        mgcf     0.50000     1.00000     1.00000   412.39939   369.11832  201
Found three species comparison        mgmj        st          mgcf     0.50000     1.00000     1.00000   401.87233   369.11832  202
Found three species comparison        mgmj        apbo        mgcf     0.50000     1.00000     1.00000   401.44480   369.11832  203
  Found two species comparison        mgmj        alpv     0.75000     1.00000   414.40529   369.11832  204
  Found two species comparison        mgmj        appv     0.75000     1.00000   414.69251   369.11832  205
Found three species comparison        mgmj        pe          ky       0.50000     0.25000     1.00000   411.71605   369.11832  206
Found three species comparison        mgmj        mgcf        ky       0.62500     0.50000     0.50000   412.35260   369.11832  207
Found three species comparison        qtz         mgpv        mgcf     1.00000     2.00000     1.00000   392.68538   369.11832  208
Found three species comparison        qtz         alpv        pe       3.00000     1.00000     0.75000   431.80606   369.11832  209
Found three species comparison        qtz         mppv        mgcf     1.00000     2.00000     1.00000   390.02523   369.11832  210
Found three species comparison        qtz         appv        pe       3.00000     1.00000     0.75000   432.09329   369.11832  211
Found three species comparison        qtz         pe          mgcf     3.00000     0.50000     1.00000   430.38993   369.11832  212
Found three species comparison        qtz         pe          ky       2.00000     0.75000     1.00000   423.31657   369.11832  213
Found three species comparison        coes        mgpv        mgcf     1.00000     2.00000     1.00000   386.29536   369.11832  214
Found three species comparison        coes        alpv        pe       3.00000     1.00000     0.75000   412.63600   369.11832  215
Found three species comparison        coes        mppv        mgcf     1.00000     2.00000     1.00000   383.63521   369.11832  216
Found three species comparison        coes        appv        pe       3.00000     1.00000     0.75000   412.92323   369.11832  217
Found three species comparison        coes        pe          mgcf     3.00000     0.50000     1.00000   411.21987   369.11832  218
Found three species comparison        coes        pe          ky       2.00000     0.75000     1.00000   410.53652   369.11832  219
Found three species comparison        st          mgpv        mgcf     1.00000     2.00000     1.00000   375.76829   369.11832  220
Found three species comparison        st          alpv        pe       3.00000     1.00000     0.75000   381.05479   369.11832  221
Found three species comparison        st          mppv        mgcf     1.00000     2.00000     1.00000   373.10814   369.11832  222
Found three species comparison        st          appv        pe       3.00000     1.00000     0.75000   381.34202   369.11832  223
Found three species comparison        st          pe          mgcf     3.00000     0.50000     1.00000   379.63867   369.11832  224
Found three species comparison        st          pe          ky       2.00000     0.75000     1.00000   389.48239   369.11832  225
Found three species comparison        apbo        mgpv        mgcf     1.00000     2.00000     1.00000   375.34077   369.11832  226
Found three species comparison        apbo        alpv        pe       3.00000     1.00000     0.75000   379.77222   369.11832  227
Found three species comparison        apbo        mppv        mgcf     1.00000     2.00000     1.00000   372.68062   369.11832  228
Found three species comparison        apbo        appv        pe       3.00000     1.00000     0.75000   380.05944   369.11832  229
Found three species comparison        apbo        pe          mgcf     3.00000     0.50000     1.00000   378.35609   369.11832  230
Found three species comparison        apbo        pe          ky       2.00000     0.75000     1.00000   388.62734   369.11832  231
  Found two species comparison        mgpv        alpv     3.00000     1.00000   372.82057   369.11832  232
  Found two species comparison        mgpv        appv     3.00000     1.00000   375.53647   369.11832  233
Found three species comparison        mgpv        pe          ky       2.00000     0.25000     1.00000   385.61202   369.11832  234
Found three species comparison        mgpv        mgcf        ky       2.50000     0.50000     0.50000   379.72256   369.11832  235
  Found two species comparison        alpv        mppv     1.00000     3.00000   371.25901   369.11832  236
  Found two species comparison        mppv        appv     3.00000     1.00000   369.11832   369.11832  237
Found three species comparison        mppv        pe          ky       2.00000     0.25000     1.00000   382.95187   369.11832  238
Found three species comparison        mppv        mgcf        ky       2.50000     0.50000     0.50000   376.39738   369.11832  239
 435 wucost            12.00   0.00  12.00   0.00   8.00   0.00  48.00
Number of non-zero components,phases,Gapp    4    3      -133.46296        35.00000      2000.00000
Found three species comparison        hc          fa          qtz      1.00000     4.00000     8.00000  -111.80838  -133.46296    1
Found three species comparison        hc          fa          coes     1.00000     4.00000     8.00000  -113.81344  -133.46296    2
Found three species comparison        hc          fa          st       1.00000     4.00000     8.00000  -123.53922  -133.46296    3
Found three species comparison        hc          fa          apbo     1.00000     4.00000     8.00000  -121.84859  -133.46296    4
Found three species comparison        hc          fewa        qtz      1.00000     4.00000     8.00000  -115.21682  -133.46296    5
Found three species comparison        hc          fewa        coes     1.00000     4.00000     8.00000  -117.22188  -133.46296    6
Found three species comparison        hc          fewa        st       1.00000     4.00000     8.00000  -126.94767  -133.46296    7
Found three species comparison        hc          fewa        apbo     1.00000     4.00000     8.00000  -125.25703  -133.46296    8
Found three species comparison        hc          feri        qtz      1.00000     4.00000     8.00000  -115.69121  -133.46296    9
Found three species comparison        hc          feri        coes     1.00000     4.00000     8.00000  -117.69627  -133.46296   10
Found three species comparison        hc          feri        st       1.00000     4.00000     8.00000  -127.42205  -133.46296   11
Found three species comparison        hc          feri        apbo     1.00000     4.00000     8.00000  -125.73141  -133.46296   12
Found three species comparison        hc          fs          qtz      1.00000     4.00000     4.00000  -115.05051  -133.46296   13
Found three species comparison        hc          fs          coes     1.00000     4.00000     4.00000  -116.05304  -133.46296   14
Found three species comparison        hc          fs          st       1.00000     4.00000     4.00000  -120.91594  -133.46296   15
Found three species comparison        hc          fs          apbo     1.00000     4.00000     4.00000  -120.07062  -133.46296   16
Found three species comparison        hc          fs          ky       0.50000     5.00000     2.00000  -119.05142  -133.46296   17
Found three species comparison        hc          fec2        qtz      1.00000     4.00000     4.00000  -115.47455  -133.46296   18
Found three species comparison        hc          fec2        coes     1.00000     4.00000     4.00000  -116.47708  -133.46296   19
Found three species comparison        hc          fec2        st       1.00000     4.00000     4.00000  -121.33998  -133.46296   20
Found three species comparison        hc          fec2        apbo     1.00000     4.00000     4.00000  -120.49466  -133.46296   21
Found three species comparison        hc          fec2        ky       0.50000     5.00000     2.00000  -119.58147  -133.46296   22
Found three species comparison        hc          feil        qtz      1.00000     8.00000     4.00000  -121.07255  -133.46296   23
Found three species comparison        hc          feil        coes     1.00000     8.00000     4.00000  -122.07508  -133.46296   24
Found three species comparison        hc          feil        st       1.00000     8.00000     4.00000  -126.93797  -133.46296   25
Found three species comparison        hc          feil        apbo     1.00000     8.00000     4.00000  -126.09265  -133.46296   26
Found three species comparison        hc          feil        ky       0.50000    10.00000     2.00000  -126.57897  -133.46296   27
 Found four species comparison        hc          hem         qtz         fea      1.00000     2.66667    12.00000     2.66667  -108.80725  -133.46296   28
 Found four species comparison        hc          hem         qtz         feg      1.00000     2.66667    12.00000     2.66667  -108.86235  -133.46296   29
 Found four species comparison        hc          hem         qtz         fee      1.00000     2.66667    12.00000     2.66667  -108.76658  -133.46296   30
 Found four species comparison        hc          hem         coes        fea      1.00000     2.66667    12.00000     2.66667  -111.81484  -133.46296   31
 Found four species comparison        hc          hem         coes        feg      1.00000     2.66667    12.00000     2.66667  -111.86995  -133.46296   32
 Found four species comparison        hc          hem         coes        fee      1.00000     2.66667    12.00000     2.66667  -111.77417  -133.46296   33
 Found four species comparison        hc          hem         st          fea      1.00000     2.66667    12.00000     2.66667  -126.40351  -133.46296   34
 Found four species comparison        hc          hem         st          feg      1.00000     2.66667    12.00000     2.66667  -126.45862  -133.46296   35
 Found four species comparison        hc          hem         st          fee      1.00000     2.66667    12.00000     2.66667  -126.36285  -133.46296   36
 Found four species comparison        hc          hem         apbo        fea      1.00000     2.66667    12.00000     2.66667  -123.86756  -133.46296   37
 Found four species comparison        hc          hem         apbo        feg      1.00000     2.66667    12.00000     2.66667  -123.92267  -133.46296   38
 Found four species comparison        hc          hem         apbo        fee      1.00000     2.66667    12.00000     2.66667  -123.82689  -133.46296   39
Found three species comparison        hc          qtz         fepv     1.00000     4.00000     8.00000  -121.36351  -133.46296   40
 Found four species comparison        hc          qtz         hepv        fea      1.00000    12.00000     2.66667     2.66667  -108.96436  -133.46296   41
 Found four species comparison        hc          qtz         hepv        feg      1.00000    12.00000     2.66667     2.66667  -109.01947  -133.46296   42
 Found four species comparison        hc          qtz         hepv        fee      1.00000    12.00000     2.66667     2.66667  -108.92370  -133.46296   43
 Found four species comparison        hc          qtz         hlpv        fea      1.00000    12.00000     2.66667     2.66667  -106.90403  -133.46296   44
 Found four species comparison        hc          qtz         hlpv        feg      1.00000    12.00000     2.66667     2.66667  -106.95913  -133.46296   45
 Found four species comparison        hc          qtz         hlpv        fee      1.00000    12.00000     2.66667     2.66667  -106.86336  -133.46296   46
Found three species comparison        hc          qtz         flpv     1.00000     4.00000     8.00000  -109.06655  -133.46296   47
Found three species comparison        hc          qtz         fppv     1.00000     4.00000     8.00000  -119.95632  -133.46296   48
 Found four species comparison        hc          qtz         hppv        fea      1.00000    12.00000     2.66667     2.66667  -107.89292  -133.46296   49
 Found four species comparison        hc          qtz         hppv        feg      1.00000    12.00000     2.66667     2.66667  -107.94803  -133.46296   50
 Found four species comparison        hc          qtz         hppv        fee      1.00000    12.00000     2.66667     2.66667  -107.85225  -133.46296   51
 Found four species comparison        hc          qtz         lppv        fea      1.00000    12.00000     2.66667     2.66667  -101.35851  -133.46296   52
 Found four species comparison        hc          qtz         lppv        feg      1.00000    12.00000     2.66667     2.66667  -101.41362  -133.46296   53
 Found four species comparison        hc          qtz         lppv        fee      1.00000    12.00000     2.66667     2.66667  -101.31784  -133.46296   54
Found three species comparison        hc          qtz         wu       1.00000    12.00000     2.00000  -112.45545  -133.46296   55
Found three species comparison        hc          qtz         wuls     1.00000    12.00000     2.00000  -104.21010  -133.46296   56
 Found four species comparison        hc          qtz         mag         fea      1.00000    12.00000     2.00000     2.00000  -109.61697  -133.46296   57
 Found four species comparison        hc          qtz         mag         feg      1.00000    12.00000     2.00000     2.00000  -109.65830  -133.46296   58
 Found four species comparison        hc          qtz         mag         fee      1.00000    12.00000     2.00000     2.00000  -109.58647  -133.46296   59
 Found four species comparison        hc          qtz         hmag        fea      1.00000    12.00000     2.00000     2.00000  -111.10472  -133.46296   60
 Found four species comparison        hc          qtz         hmag        feg      1.00000    12.00000     2.00000     2.00000  -111.14605  -133.46296   61
 Found four species comparison        hc          qtz         hmag        fee      1.00000    12.00000     2.00000     2.00000  -111.07422  -133.46296   62
Found three species comparison        hc          coes        fepv     1.00000     4.00000     8.00000  -122.36604  -133.46296   63
 Found four species comparison        hc          coes        hepv        fea      1.00000    12.00000     2.66667     2.66667  -111.97196  -133.46296   64
 Found four species comparison        hc          coes        hepv        feg      1.00000    12.00000     2.66667     2.66667  -112.02706  -133.46296   65
 Found four species comparison        hc          coes        hepv        fee      1.00000    12.00000     2.66667     2.66667  -111.93129  -133.46296   66
 Found four species comparison        hc          coes        hlpv        fea      1.00000    12.00000     2.66667     2.66667  -109.91162  -133.46296   67
 Found four species comparison        hc          coes        hlpv        feg      1.00000    12.00000     2.66667     2.66667  -109.96673  -133.46296   68
 Found four species comparison        hc          coes        hlpv        fee      1.00000    12.00000     2.66667     2.66667  -109.87095  -133.46296   69
Found three species comparison        hc          coes        flpv     1.00000     4.00000     8.00000  -110.06908  -133.46296   70
Found three species comparison        hc          coes        fppv     1.00000     4.00000     8.00000  -120.95885  -133.46296   71
 Found four species comparison        hc          coes        hppv        fea      1.00000    12.00000     2.66667     2.66667  -110.90051  -133.46296   72
 Found four species comparison        hc          coes        hppv        feg      1.00000    12.00000     2.66667     2.66667  -110.95562  -133.46296   73
 Found four species comparison        hc          coes        hppv        fee      1.00000    12.00000     2.66667     2.66667  -110.85985  -133.46296   74
 Found four species comparison        hc          coes        lppv        fea      1.00000    12.00000     2.66667     2.66667  -104.36610  -133.46296   75
 Found four species comparison        hc          coes        lppv        feg      1.00000    12.00000     2.66667     2.66667  -104.42121  -133.46296   76
 Found four species comparison        hc          coes        lppv        fee      1.00000    12.00000     2.66667     2.66667  -104.32543  -133.46296   77
Found three species comparison        hc          coes        wu       1.00000    12.00000     2.00000  -115.46304  -133.46296   78
Found three species comparison        hc          coes        wuls     1.00000    12.00000     2.00000  -107.21769  -133.46296   79
 Found four species comparison        hc          coes        mag         fea      1.00000    12.00000     2.00000     2.00000  -112.62456  -133.46296   80
 Found four species comparison        hc          coes        mag         feg      1.00000    12.00000     2.00000     2.00000  -112.66589  -133.46296   81
 Found four species comparison        hc          coes        mag         fee      1.00000    12.00000     2.00000     2.00000  -112.59406  -133.46296   82
 Found four species comparison        hc          coes        hmag        fea      1.00000    12.00000     2.00000     2.00000  -114.11232  -133.46296   83
 Found four species comparison        hc          coes        hmag        feg      1.00000    12.00000     2.00000     2.00000  -114.15365  -133.46296   84
 Found four species comparison        hc          coes        hmag        fee      1.00000    12.00000     2.00000     2.00000  -114.08182  -133.46296   85
Found three species comparison        hc          st          fepv     1.00000     4.00000     8.00000  -127.22893  -133.46296   86
 Found four species comparison        hc          st          hepv        fea      1.00000    12.00000     2.66667     2.66667  -126.56063  -133.46296   87
 Found four species comparison        hc          st          hepv        feg      1.00000    12.00000     2.66667     2.66667  -126.61574  -133.46296   88
 Found four species comparison        hc          st          hepv        fee      1.00000    12.00000     2.66667     2.66667  -126.51996  -133.46296   89
 Found four species comparison        hc          st          hlpv        fea      1.00000    12.00000     2.66667     2.66667  -124.50029  -133.46296   90
 Found four species comparison        hc          st          hlpv        feg      1.00000    12.00000     2.66667     2.66667  -124.55540  -133.46296   91
 Found four species comparison        hc          st          hlpv        fee      1.00000    12.00000     2.66667     2.66667  -124.45963  -133.46296   92
Found three species comparison        hc          st          flpv     1.00000     4.00000     8.00000  -114.93197  -133.46296   93
Found three species comparison        hc          st          fppv     1.00000     4.00000     8.00000  -125.82174  -133.46296   94
 Found four species comparison        hc          st          hppv        fea      1.00000    12.00000     2.66667     2.66667  -125.48919  -133.46296   95
 Found four species comparison        hc          st          hppv        feg      1.00000    12.00000     2.66667     2.66667  -125.54429  -133.46296   96
 Found four species comparison        hc          st          hppv        fee      1.00000    12.00000     2.66667     2.66667  -125.44852  -133.46296   97
 Found four species comparison        hc          st          lppv        fea      1.00000    12.00000     2.66667     2.66667  -118.95478  -133.46296   98
 Found four species comparison        hc          st          lppv        feg      1.00000    12.00000     2.66667     2.66667  -119.00988  -133.46296   99
 Found four species comparison        hc          st          lppv        fee      1.00000    12.00000     2.66667     2.66667  -118.91411  -133.46296  100
Found three species comparison        hc          st          wu       1.00000    12.00000     2.00000  -130.05172  -133.46296  101
Found three species comparison        hc          st          wuls     1.00000    12.00000     2.00000  -121.80636  -133.46296  102
 Found four species comparison        hc          st          mag         fea      1.00000    12.00000     2.00000     2.00000  -127.21324  -133.46296  103
 Found four species comparison        hc          st          mag         feg      1.00000    12.00000     2.00000     2.00000  -127.25457  -133.46296  104
 Found four species comparison        hc          st          mag         fee      1.00000    12.00000     2.00000     2.00000  -127.18274  -133.46296  105
 Found four species comparison        hc          st          hmag        fea      1.00000    12.00000     2.00000     2.00000  -128.70099  -133.46296  106
 Found four species comparison        hc          st          hmag        feg      1.00000    12.00000     2.00000     2.00000  -128.74232  -133.46296  107
 Found four species comparison        hc          st          hmag        fee      1.00000    12.00000     2.00000     2.00000  -128.67049  -133.46296  108
Found three species comparison        hc          apbo        fepv     1.00000     4.00000     8.00000  -126.38361  -133.46296  109
 Found four species comparison        hc          apbo        hepv        fea      1.00000    12.00000     2.66667     2.66667  -124.02467  -133.46296  110
 Found four species comparison        hc          apbo        hepv        feg      1.00000    12.00000     2.66667     2.66667  -124.07978  -133.46296  111
 Found four species comparison        hc          apbo        hepv        fee      1.00000    12.00000     2.66667     2.66667  -123.98401  -133.46296  112
 Found four species comparison        hc          apbo        hlpv        fea      1.00000    12.00000     2.66667     2.66667  -121.96434  -133.46296  113
 Found four species comparison        hc          apbo        hlpv        feg      1.00000    12.00000     2.66667     2.66667  -122.01945  -133.46296  114
 Found four species comparison        hc          apbo        hlpv        fee      1.00000    12.00000     2.66667     2.66667  -121.92367  -133.46296  115
Found three species comparison        hc          apbo        flpv     1.00000     4.00000     8.00000  -114.08665  -133.46296  116
Found three species comparison        hc          apbo        fppv     1.00000     4.00000     8.00000  -124.97642  -133.46296  117
 Found four species comparison        hc          apbo        hppv        fea      1.00000    12.00000     2.66667     2.66667  -122.95323  -133.46296  118
 Found four species comparison        hc          apbo        hppv        feg      1.00000    12.00000     2.66667     2.66667  -123.00834  -133.46296  119
 Found four species comparison        hc          apbo        hppv        fee      1.00000    12.00000     2.66667     2.66667  -122.91256  -133.46296  120
 Found four species comparison        hc          apbo        lppv        fea      1.00000    12.00000     2.66667     2.66667  -116.41882  -133.46296  121
 Found four species comparison        hc          apbo        lppv        feg      1.00000    12.00000     2.66667     2.66667  -116.47393  -133.46296  122
 Found four species comparison        hc          apbo        lppv        fee      1.00000    12.00000     2.66667     2.66667  -116.37815  -133.46296  123
Found three species comparison        hc          apbo        wu       1.00000    12.00000     2.00000  -127.51576  -133.46296  124
Found three species comparison        hc          apbo        wuls     1.00000    12.00000     2.00000  -119.27041  -133.46296  125
 Found four species comparison        hc          apbo        mag         fea      1.00000    12.00000     2.00000     2.00000  -124.67728  -133.46296  126
 Found four species comparison        hc          apbo        mag         feg      1.00000    12.00000     2.00000     2.00000  -124.71861  -133.46296  127
 Found four species comparison        hc          apbo        mag         fee      1.00000    12.00000     2.00000     2.00000  -124.64678  -133.46296  128
 Found four species comparison        hc          apbo        hmag        fea      1.00000    12.00000     2.00000     2.00000  -126.16503  -133.46296  129
 Found four species comparison        hc          apbo        hmag        feg      1.00000    12.00000     2.00000     2.00000  -126.20637  -133.46296  130
 Found four species comparison        hc          apbo        hmag        fee      1.00000    12.00000     2.00000     2.00000  -126.13453  -133.46296  131
Found three species comparison        hc          fepv        ky       0.50000    10.00000     2.00000  -126.94267  -133.46296  132
Found three species comparison        hc          flpv        ky       0.50000    10.00000     2.00000  -111.57147  -133.46296  133
Found three species comparison        hc          fppv        ky       0.50000    10.00000     2.00000  -125.18368  -133.46296  134
Found three species comparison        fa          fs          ky       4.00000     2.00000     4.00000  -119.81020  -133.46296  135
Found three species comparison        fa          fec2        ky       4.00000     2.00000     4.00000  -120.02222  -133.46296  136
Found three species comparison        fa          feil        ky       4.00000     4.00000     4.00000  -122.82122  -133.46296  137
Found three species comparison        fa          co          qtz      6.00000     4.00000     6.00000  -114.89608  -133.46296  138
Found three species comparison        fa          co          coes     6.00000     4.00000     6.00000  -116.39988  -133.46296  139
Found three species comparison        fa          co          st       6.00000     4.00000     6.00000  -123.69422  -133.46296  140
Found three species comparison        fa          co          apbo     6.00000     4.00000     6.00000  -122.42624  -133.46296  141
Found three species comparison        fa          qtz         alpv     6.00000     6.00000     4.00000  -113.34522  -133.46296  142
Found three species comparison        fa          qtz         appv     6.00000     6.00000     4.00000  -107.59665  -133.46296  143
Found three species comparison        fa          qtz         fecf     4.00000     8.00000     4.00000  -113.80905  -133.46296  144
Found three species comparison        fa          qtz         ky       6.00000     2.00000     4.00000  -118.18913  -133.46296  145
Found three species comparison        fa          coes        alpv     6.00000     6.00000     4.00000  -114.84901  -133.46296  146
Found three species comparison        fa          coes        appv     6.00000     6.00000     4.00000  -109.10045  -133.46296  147
Found three species comparison        fa          coes        fecf     4.00000     8.00000     4.00000  -115.81412  -133.46296  148
Found three species comparison        fa          coes        ky       6.00000     2.00000     4.00000  -118.69040  -133.46296  149
Found three species comparison        fa          st          alpv     6.00000     6.00000     4.00000  -122.14335  -133.46296  150
Found three species comparison        fa          st          appv     6.00000     6.00000     4.00000  -116.39479  -133.46296  151
Found three species comparison        fa          st          fecf     4.00000     8.00000     4.00000  -125.53990  -133.46296  152
Found three species comparison        fa          st          ky       6.00000     2.00000     4.00000  -121.12184  -133.46296  153
Found three species comparison        fa          apbo        alpv     6.00000     6.00000     4.00000  -120.87537  -133.46296  154
Found three species comparison        fa          apbo        appv     6.00000     6.00000     4.00000  -115.12681  -133.46296  155
Found three species comparison        fa          apbo        fecf     4.00000     8.00000     4.00000  -123.84926  -133.46296  156
Found three species comparison        fa          apbo        ky       6.00000     2.00000     4.00000  -120.69918  -133.46296  157
Found three species comparison        fa          fepv        ky       4.00000     4.00000     4.00000  -122.96670  -133.46296  158
Found three species comparison        fa          flpv        ky       4.00000     4.00000     4.00000  -116.81822  -133.46296  159
Found three species comparison        fa          fppv        ky       4.00000     4.00000     4.00000  -122.26310  -133.46296  160
Found three species comparison        fewa        fs          ky       4.00000     2.00000     4.00000  -123.21864  -133.46296  161
Found three species comparison        fewa        fec2        ky       4.00000     2.00000     4.00000  -123.43066  -133.46296  162
Found three species comparison        fewa        feil        ky       4.00000     4.00000     4.00000  -126.22966  -133.46296  163
Found three species comparison        fewa        co          qtz      6.00000     4.00000     6.00000  -120.00875  -133.46296  164
Found three species comparison        fewa        co          coes     6.00000     4.00000     6.00000  -121.51254  -133.46296  165
Found three species comparison        fewa        co          st       6.00000     4.00000     6.00000  -128.80688  -133.46296  166
Found three species comparison        fewa        co          apbo     6.00000     4.00000     6.00000  -127.53890  -133.46296  167
Found three species comparison        fewa        qtz         alpv     6.00000     6.00000     4.00000  -118.45788  -133.46296  168
Found three species comparison        fewa        qtz         appv     6.00000     6.00000     4.00000  -112.70932  -133.46296  169
Found three species comparison        fewa        qtz         fecf     4.00000     8.00000     4.00000  -117.21750  -133.46296  170
Found three species comparison        fewa        qtz         ky       6.00000     2.00000     4.00000  -123.30180  -133.46296  171
Found three species comparison        fewa        coes        alpv     6.00000     6.00000     4.00000  -119.96168  -133.46296  172
Found three species comparison        fewa        coes        appv     6.00000     6.00000     4.00000  -114.21312  -133.46296  173
Found three species comparison        fewa        coes        fecf     4.00000     8.00000     4.00000  -119.22256  -133.46296  174
Found three species comparison        fewa        coes        ky       6.00000     2.00000     4.00000  -123.80306  -133.46296  175
Found three species comparison        fewa        st          alpv     6.00000     6.00000     4.00000  -127.25602  -133.46296  176
Found three species comparison        fewa        st          appv     6.00000     6.00000     4.00000  -121.50745  -133.46296  177
Found three species comparison        fewa        st          fecf     4.00000     8.00000     4.00000  -128.94834  -133.46296  178
Found three species comparison        fewa        st          ky       6.00000     2.00000     4.00000  -126.23451  -133.46296  179
Found three species comparison        fewa        apbo        alpv     6.00000     6.00000     4.00000  -125.98804  -133.46296  180
Found three species comparison        fewa        apbo        appv     6.00000     6.00000     4.00000  -120.23948  -133.46296  181
Found three species comparison        fewa        apbo        fecf     4.00000     8.00000     4.00000  -127.25771  -133.46296  182
Found three species comparison        fewa        apbo        ky       6.00000     2.00000     4.00000  -125.81185  -133.46296  183
Found three species comparison        fewa        fepv        ky       4.00000     4.00000     4.00000  -126.37514  -133.46296  184
Found three species comparison        fewa        flpv        ky       4.00000     4.00000     4.00000  -120.22666  -133.46296  185
Found three species comparison        fewa        fppv        ky       4.00000     4.00000     4.00000  -125.67154  -133.46296  186
Found three species comparison        feri        fs          ky       4.00000     2.00000     4.00000  -123.69303  -133.46296  187
Found three species comparison        feri        fec2        ky       4.00000     2.00000     4.00000  -123.90505  -133.46296  188
Found three species comparison        feri        feil        ky       4.00000     4.00000     4.00000  -126.70405  -133.46296  189
Found three species comparison        feri        co          qtz      6.00000     4.00000     6.00000  -120.72033  -133.46296  190
Found three species comparison        feri        co          coes     6.00000     4.00000     6.00000  -122.22412  -133.46296  191
Found three species comparison        feri        co          st       6.00000     4.00000     6.00000  -129.51846  -133.46296  192
Found three species comparison        feri        co          apbo     6.00000     4.00000     6.00000  -128.25048  -133.46296  193
Found three species comparison        feri        qtz         alpv     6.00000     6.00000     4.00000  -119.16946  -133.46296  194
Found three species comparison        feri        qtz         appv     6.00000     6.00000     4.00000  -113.42090  -133.46296  195
Found three species comparison        feri        qtz         fecf     4.00000     8.00000     4.00000  -117.69188  -133.46296  196
Found three species comparison        feri        qtz         ky       6.00000     2.00000     4.00000  -124.01338  -133.46296  197
Found three species comparison        feri        coes        alpv     6.00000     6.00000     4.00000  -120.67326  -133.46296  198
Found three species comparison        feri        coes        appv     6.00000     6.00000     4.00000  -114.92469  -133.46296  199
Found three species comparison        feri        coes        fecf     4.00000     8.00000     4.00000  -119.69695  -133.46296  200
Found three species comparison        feri        coes        ky       6.00000     2.00000     4.00000  -124.51464  -133.46296  201
Found three species comparison        feri        st          alpv     6.00000     6.00000     4.00000  -127.96759  -133.46296  202
Found three species comparison        feri        st          appv     6.00000     6.00000     4.00000  -122.21903  -133.46296  203
Found three species comparison        feri        st          fecf     4.00000     8.00000     4.00000  -129.42273  -133.46296  204
Found three species comparison        feri        st          ky       6.00000     2.00000     4.00000  -126.94609  -133.46296  205
Found three species comparison        feri        apbo        alpv     6.00000     6.00000     4.00000  -126.69962  -133.46296  206
Found three species comparison        feri        apbo        appv     6.00000     6.00000     4.00000  -120.95105  -133.46296  207
Found three species comparison        feri        apbo        fecf     4.00000     8.00000     4.00000  -127.73209  -133.46296  208
Found three species comparison        feri        apbo        ky       6.00000     2.00000     4.00000  -126.52343  -133.46296  209
Found three species comparison        feri        fepv        ky       4.00000     4.00000     4.00000  -126.84953  -133.46296  210
Found three species comparison        feri        flpv        ky       4.00000     4.00000     4.00000  -120.70105  -133.46296  211
Found three species comparison        feri        fppv        ky       4.00000     4.00000     4.00000  -126.14593  -133.46296  212
  Found two species comparison        fs          co       6.00000     4.00000  -119.75929  -133.46296  213
 Found four species comparison        fs          hem         ky          fea      4.00000     1.33333     4.00000     1.33333  -119.93070  -133.46296  214
 Found four species comparison        fs          hem         ky          feg      4.00000     1.33333     4.00000     1.33333  -119.95826  -133.46296  215
 Found four species comparison        fs          hem         ky          fee      4.00000     1.33333     4.00000     1.33333  -119.91037  -133.46296  216
Found three species comparison        fs          qtz         fecf     4.00000     4.00000     4.00000  -117.05119  -133.46296  217
Found three species comparison        fs          coes        fecf     4.00000     4.00000     4.00000  -118.05372  -133.46296  218
Found three species comparison        fs          st          fecf     4.00000     4.00000     4.00000  -122.91661  -133.46296  219
Found three species comparison        fs          apbo        fecf     4.00000     4.00000     4.00000  -122.07129  -133.46296  220
  Found two species comparison        fs          alpv     6.00000     4.00000  -118.20842  -133.46296  221
 Found four species comparison        fs          hepv        ky          fea      4.00000     1.33333     4.00000     1.33333  -120.00926  -133.46296  222
 Found four species comparison        fs          hepv        ky          feg      4.00000     1.33333     4.00000     1.33333  -120.03681  -133.46296  223
 Found four species comparison        fs          hepv        ky          fee      4.00000     1.33333     4.00000     1.33333  -119.98893  -133.46296  224
 Found four species comparison        fs          hlpv        ky          fea      4.00000     1.33333     4.00000     1.33333  -118.97909  -133.46296  225
 Found four species comparison        fs          hlpv        ky          feg      4.00000     1.33333     4.00000     1.33333  -119.00664  -133.46296  226
 Found four species comparison        fs          hlpv        ky          fee      4.00000     1.33333     4.00000     1.33333  -118.95876  -133.46296  227
 Found four species comparison        fs          fapv        ky          fea      4.50000     2.00000     3.00000     1.00000  -112.89064  -133.46296  228
 Found four species comparison        fs          fapv        ky          feg      4.50000     2.00000     3.00000     1.00000  -112.91130  -133.46296  229
 Found four species comparison        fs          fapv        ky          fee      4.50000     2.00000     3.00000     1.00000  -112.87539  -133.46296  230
  Found two species comparison        fs          appv     6.00000     4.00000  -112.45986  -133.46296  231
 Found four species comparison        fs          hppv        ky          fea      4.00000     1.33333     4.00000     1.33333  -119.47354  -133.46296  232
 Found four species comparison        fs          hppv        ky          feg      4.00000     1.33333     4.00000     1.33333  -119.50109  -133.46296  233
 Found four species comparison        fs          hppv        ky          fee      4.00000     1.33333     4.00000     1.33333  -119.45320  -133.46296  234
 Found four species comparison        fs          lppv        ky          fea      4.00000     1.33333     4.00000     1.33333  -116.20633  -133.46296  235
 Found four species comparison        fs          lppv        ky          feg      4.00000     1.33333     4.00000     1.33333  -116.23389  -133.46296  236
 Found four species comparison        fs          lppv        ky          fee      4.00000     1.33333     4.00000     1.33333  -116.18600  -133.46296  237
Found three species comparison        fs          wu          ky       4.00000     1.00000     4.00000  -121.75480  -133.46296  238
Found three species comparison        fs          wuls        ky       4.00000     1.00000     4.00000  -117.63213  -133.46296  239
 Found four species comparison        fs          mag         ky          fea      4.00000     1.00000     4.00000     1.00000  -120.33556  -133.46296  240
 Found four species comparison        fs          mag         ky          feg      4.00000     1.00000     4.00000     1.00000  -120.35623  -133.46296  241
 Found four species comparison        fs          mag         ky          fee      4.00000     1.00000     4.00000     1.00000  -120.32031  -133.46296  242
Found three species comparison        fs          fecf        ky       5.00000     2.00000     2.00000  -120.05176  -133.46296  243
 Found four species comparison        fs          hmag        ky          fea      4.00000     1.00000     4.00000     1.00000  -121.07944  -133.46296  244
 Found four species comparison        fs          hmag        ky          feg      4.00000     1.00000     4.00000     1.00000  -121.10010  -133.46296  245
 Found four species comparison        fs          hmag        ky          fee      4.00000     1.00000     4.00000     1.00000  -121.06419  -133.46296  246
  Found two species comparison        fec2        co       6.00000     4.00000  -120.39535  -133.46296  247
 Found four species comparison        fec2        hem         ky          fea      4.00000     1.33333     4.00000     1.33333  -120.35474  -133.46296  248
 Found four species comparison        fec2        hem         ky          feg      4.00000     1.33333     4.00000     1.33333  -120.38230  -133.46296  249
 Found four species comparison        fec2        hem         ky          fee      4.00000     1.33333     4.00000     1.33333  -120.33441  -133.46296  250
Found three species comparison        fec2        qtz         fecf     4.00000     4.00000     4.00000  -117.47523  -133.46296  251
Found three species comparison        fec2        coes        fecf     4.00000     4.00000     4.00000  -118.47776  -133.46296  252
Found three species comparison        fec2        st          fecf     4.00000     4.00000     4.00000  -123.34065  -133.46296  253
Found three species comparison        fec2        apbo        fecf     4.00000     4.00000     4.00000  -122.49533  -133.46296  254
  Found two species comparison        fec2        alpv     6.00000     4.00000  -118.84448  -133.46296  255
 Found four species comparison        fec2        hepv        ky          fea      4.00000     1.33333     4.00000     1.33333  -120.43330  -133.46296  256
 Found four species comparison        fec2        hepv        ky          feg      4.00000     1.33333     4.00000     1.33333  -120.46085  -133.46296  257
 Found four species comparison        fec2        hepv        ky          fee      4.00000     1.33333     4.00000     1.33333  -120.41297  -133.46296  258
 Found four species comparison        fec2        hlpv        ky          fea      4.00000     1.33333     4.00000     1.33333  -119.40313  -133.46296  259
 Found four species comparison        fec2        hlpv        ky          feg      4.00000     1.33333     4.00000     1.33333  -119.43069  -133.46296  260
 Found four species comparison        fec2        hlpv        ky          fee      4.00000     1.33333     4.00000     1.33333  -119.38280  -133.46296  261
 Found four species comparison        fec2        fapv        ky          fea      4.50000     2.00000     3.00000     1.00000  -113.36768  -133.46296  262
 Found four species comparison        fec2        fapv        ky          feg      4.50000     2.00000     3.00000     1.00000  -113.38835  -133.46296  263
 Found four species comparison        fec2        fapv        ky          fee      4.50000     2.00000     3.00000     1.00000  -113.35243  -133.46296  264
  Found two species comparison        fec2        appv     6.00000     4.00000  -113.09592  -133.46296  265
 Found four species comparison        fec2        hppv        ky          fea      4.00000     1.33333     4.00000     1.33333  -119.89758  -133.46296  266
 Found four species comparison        fec2        hppv        ky          feg      4.00000     1.33333     4.00000     1.33333  -119.92513  -133.46296  267
 Found four species comparison        fec2        hppv        ky          fee      4.00000     1.33333     4.00000     1.33333  -119.87724  -133.46296  268
 Found four species comparison        fec2        lppv        ky          fea      4.00000     1.33333     4.00000     1.33333  -116.63037  -133.46296  269
 Found four species comparison        fec2        lppv        ky          feg      4.00000     1.33333     4.00000     1.33333  -116.65793  -133.46296  270
 Found four species comparison        fec2        lppv        ky          fee      4.00000     1.33333     4.00000     1.33333  -116.61004  -133.46296  271
Found three species comparison        fec2        wu          ky       4.00000     1.00000     4.00000  -122.17884  -133.46296  272
Found three species comparison        fec2        wuls        ky       4.00000     1.00000     4.00000  -118.05617  -133.46296  273
 Found four species comparison        fec2        mag         ky          fea      4.00000     1.00000     4.00000     1.00000  -120.75960  -133.46296  274
 Found four species comparison        fec2        mag         ky          feg      4.00000     1.00000     4.00000     1.00000  -120.78027  -133.46296  275
 Found four species comparison        fec2        mag         ky          fee      4.00000     1.00000     4.00000     1.00000  -120.74435  -133.46296  276
Found three species comparison        fec2        fecf        ky       5.00000     2.00000     2.00000  -120.58181  -133.46296  277
 Found four species comparison        fec2        hmag        ky          fea      4.00000     1.00000     4.00000     1.00000  -121.50348  -133.46296  278
 Found four species comparison        fec2        hmag        ky          feg      4.00000     1.00000     4.00000     1.00000  -121.52414  -133.46296  279
 Found four species comparison        fec2        hmag        ky          fee      4.00000     1.00000     4.00000     1.00000  -121.48823  -133.46296  280
  Found two species comparison        feil        co      12.00000     4.00000  -130.30718  -133.46296  281
 Found four species comparison        feil        hem         ky          fea      8.00000     1.33333     4.00000     1.33333  -127.54402  -133.46296  282
 Found four species comparison        feil        hem         ky          feg      8.00000     1.33333     4.00000     1.33333  -127.57158  -133.46296  283
 Found four species comparison        feil        hem         ky          fee      8.00000     1.33333     4.00000     1.33333  -127.52369  -133.46296  284
Found three species comparison        feil        qtz         fecf     8.00000     4.00000     4.00000  -123.07322  -133.46296  285
Found three species comparison        feil        coes        fecf     8.00000     4.00000     4.00000  -124.07575  -133.46296  286
Found three species comparison        feil        st          fecf     8.00000     4.00000     4.00000  -128.93865  -133.46296  287
Found three species comparison        feil        apbo        fecf     8.00000     4.00000     4.00000  -128.09333  -133.46296  288
  Found two species comparison        feil        alpv    12.00000     4.00000  -127.24147  -133.46296  289
 Found four species comparison        feil        hepv        ky          fea      8.00000     1.33333     4.00000     1.33333  -126.03129  -133.46296  290
 Found four species comparison        feil        hepv        ky          feg      8.00000     1.33333     4.00000     1.33333  -126.05885  -133.46296  291
 Found four species comparison        feil        hepv        ky          fee      8.00000     1.33333     4.00000     1.33333  -126.01096  -133.46296  292
 Found four species comparison        feil        hlpv        ky          fea      8.00000     1.33333     4.00000     1.33333  -125.00113  -133.46296  293
 Found four species comparison        feil        hlpv        ky          feg      8.00000     1.33333     4.00000     1.33333  -125.02868  -133.46296  294
 Found four species comparison        feil        hlpv        ky          fee      8.00000     1.33333     4.00000     1.33333  -124.98079  -133.46296  295
 Found four species comparison        feil        fapv        ky          fea      9.00000     2.00000     3.00000     1.00000  -119.66542  -133.46296  296
 Found four species comparison        feil        fapv        ky          feg      9.00000     2.00000     3.00000     1.00000  -119.68609  -133.46296  297
 Found four species comparison        feil        fapv        ky          fee      9.00000     2.00000     3.00000     1.00000  -119.65017  -133.46296  298
  Found two species comparison        feil        appv    12.00000     4.00000  -121.49291  -133.46296  299
 Found four species comparison        feil        hppv        ky          fea      8.00000     1.33333     4.00000     1.33333  -125.49557  -133.46296  300
 Found four species comparison        feil        hppv        ky          feg      8.00000     1.33333     4.00000     1.33333  -125.52313  -133.46296  301
 Found four species comparison        feil        hppv        ky          fee      8.00000     1.33333     4.00000     1.33333  -125.47524  -133.46296  302
 Found four species comparison        feil        lppv        ky          fea      8.00000     1.33333     4.00000     1.33333  -122.22837  -133.46296  303
 Found four species comparison        feil        lppv        ky          feg      8.00000     1.33333     4.00000     1.33333  -122.25592  -133.46296  304
 Found four species comparison        feil        lppv        ky          fee      8.00000     1.33333     4.00000     1.33333  -122.20803  -133.46296  305
Found three species comparison        feil        wu          ky       8.00000     1.00000     4.00000  -127.77684  -133.46296  306
Found three species comparison        feil        wuls        ky       8.00000     1.00000     4.00000  -123.65416  -133.46296  307
 Found four species comparison        feil        mag         ky          fea      8.00000     1.00000     4.00000     1.00000  -126.35760  -133.46296  308
 Found four species comparison        feil        mag         ky          feg      8.00000     1.00000     4.00000     1.00000  -126.37826  -133.46296  309
 Found four species comparison        feil        mag         ky          fee      8.00000     1.00000     4.00000     1.00000  -126.34235  -133.46296  310
Found three species comparison        feil        fecf        ky      10.00000     2.00000     2.00000  -127.57930  -133.46296  311
 Found four species comparison        feil        hmag        ky          fea      8.00000     1.00000     4.00000     1.00000  -127.10147  -133.46296  312
 Found four species comparison        feil        hmag        ky          feg      8.00000     1.00000     4.00000     1.00000  -127.12214  -133.46296  313
 Found four species comparison        feil        hmag        ky          fee      8.00000     1.00000     4.00000     1.00000  -127.08622  -133.46296  314
 Found four species comparison        co          hem         qtz         fea      4.00000     4.00000    12.00000     4.00000  -111.15144  -133.46296  315
 Found four species comparison        co          hem         qtz         feg      4.00000     4.00000    12.00000     4.00000  -111.23411  -133.46296  316
 Found four species comparison        co          hem         qtz         fee      4.00000     4.00000    12.00000     4.00000  -111.09044  -133.46296  317
 Found four species comparison        co          hem         coes        fea      4.00000     4.00000    12.00000     4.00000  -114.15904  -133.46296  318
 Found four species comparison        co          hem         coes        feg      4.00000     4.00000    12.00000     4.00000  -114.24170  -133.46296  319
 Found four species comparison        co          hem         coes        fee      4.00000     4.00000    12.00000     4.00000  -114.09804  -133.46296  320
 Found four species comparison        co          hem         st          fea      4.00000     4.00000    12.00000     4.00000  -128.74771  -133.46296  321
 Found four species comparison        co          hem         st          feg      4.00000     4.00000    12.00000     4.00000  -128.83037  -133.46296  322
 Found four species comparison        co          hem         st          fee      4.00000     4.00000    12.00000     4.00000  -128.68671  -133.46296  323
 Found four species comparison        co          hem         apbo        fea      4.00000     4.00000    12.00000     4.00000  -126.21176  -133.46296  324
 Found four species comparison        co          hem         apbo        feg      4.00000     4.00000    12.00000     4.00000  -126.29442  -133.46296  325
 Found four species comparison        co          hem         apbo        fee      4.00000     4.00000    12.00000     4.00000  -126.15076  -133.46296  326
 Found four species comparison        co          qtz         hepv        fea      4.00000    12.00000     4.00000     4.00000  -110.63006  -133.46296  327
 Found four species comparison        co          qtz         hepv        feg      4.00000    12.00000     4.00000     4.00000  -110.71272  -133.46296  328
 Found four species comparison        co          qtz         hepv        fee      4.00000    12.00000     4.00000     4.00000  -110.56906  -133.46296  329
 Found four species comparison        co          qtz         hlpv        fea      4.00000    12.00000     4.00000     4.00000  -107.53956  -133.46296  330
 Found four species comparison        co          qtz         hlpv        feg      4.00000    12.00000     4.00000     4.00000  -107.62222  -133.46296  331
 Found four species comparison        co          qtz         hlpv        fee      4.00000    12.00000     4.00000     4.00000  -107.47856  -133.46296  332
 Found four species comparison        co          qtz         hppv        fea      4.00000    12.00000     4.00000     4.00000  -109.02290  -133.46296  333
 Found four species comparison        co          qtz         hppv        feg      4.00000    12.00000     4.00000     4.00000  -109.10556  -133.46296  334
 Found four species comparison        co          qtz         hppv        fee      4.00000    12.00000     4.00000     4.00000  -108.96190  -133.46296  335
 Found four species comparison        co          qtz         lppv        fea      4.00000    12.00000     4.00000     4.00000   -99.22128  -133.46296  336
 Found four species comparison        co          qtz         lppv        feg      4.00000    12.00000     4.00000     4.00000   -99.30394  -133.46296  337
 Found four species comparison        co          qtz         lppv        fee      4.00000    12.00000     4.00000     4.00000   -99.16028  -133.46296  338
Found three species comparison        co          qtz         wu       4.00000    12.00000     3.00000  -115.86670  -133.46296  339
Found three species comparison        co          qtz         wuls     4.00000    12.00000     3.00000  -103.49866  -133.46296  340
 Found four species comparison        co          qtz         mag         fea      4.00000    12.00000     3.00000     3.00000  -111.60897  -133.46296  341
 Found four species comparison        co          qtz         mag         feg      4.00000    12.00000     3.00000     3.00000  -111.67097  -133.46296  342
 Found four species comparison        co          qtz         mag         fee      4.00000    12.00000     3.00000     3.00000  -111.56322  -133.46296  343
 Found four species comparison        co          qtz         hmag        fea      4.00000    12.00000     3.00000     3.00000  -113.84060  -133.46296  344
 Found four species comparison        co          qtz         hmag        feg      4.00000    12.00000     3.00000     3.00000  -113.90260  -133.46296  345
 Found four species comparison        co          qtz         hmag        fee      4.00000    12.00000     3.00000     3.00000  -113.79485  -133.46296  346
 Found four species comparison        co          coes        hepv        fea      4.00000    12.00000     4.00000     4.00000  -113.63765  -133.46296  347
 Found four species comparison        co          coes        hepv        feg      4.00000    12.00000     4.00000     4.00000  -113.72031  -133.46296  348
 Found four species comparison        co          coes        hepv        fee      4.00000    12.00000     4.00000     4.00000  -113.57665  -133.46296  349
 Found four species comparison        co          coes        hlpv        fea      4.00000    12.00000     4.00000     4.00000  -110.54715  -133.46296  350
 Found four species comparison        co          coes        hlpv        feg      4.00000    12.00000     4.00000     4.00000  -110.62981  -133.46296  351
 Found four species comparison        co          coes        hlpv        fee      4.00000    12.00000     4.00000     4.00000  -110.48615  -133.46296  352
 Found four species comparison        co          coes        hppv        fea      4.00000    12.00000     4.00000     4.00000  -112.03049  -133.46296  353
 Found four species comparison        co          coes        hppv        feg      4.00000    12.00000     4.00000     4.00000  -112.11315  -133.46296  354
 Found four species comparison        co          coes        hppv        fee      4.00000    12.00000     4.00000     4.00000  -111.96949  -133.46296  355
 Found four species comparison        co          coes        lppv        fea      4.00000    12.00000     4.00000     4.00000  -102.22887  -133.46296  356
 Found four species comparison        co          coes        lppv        feg      4.00000    12.00000     4.00000     4.00000  -102.31153  -133.46296  357
 Found four species comparison        co          coes        lppv        fee      4.00000    12.00000     4.00000     4.00000  -102.16787  -133.46296  358
Found three species comparison        co          coes        wu       4.00000    12.00000     3.00000  -118.87429  -133.46296  359
Found three species comparison        co          coes        wuls     4.00000    12.00000     3.00000  -106.50625  -133.46296  360
 Found four species comparison        co          coes        mag         fea      4.00000    12.00000     3.00000     3.00000  -114.61656  -133.46296  361
 Found four species comparison        co          coes        mag         feg      4.00000    12.00000     3.00000     3.00000  -114.67856  -133.46296  362
 Found four species comparison        co          coes        mag         fee      4.00000    12.00000     3.00000     3.00000  -114.57081  -133.46296  363
 Found four species comparison        co          coes        hmag        fea      4.00000    12.00000     3.00000     3.00000  -116.84819  -133.46296  364
 Found four species comparison        co          coes        hmag        feg      4.00000    12.00000     3.00000     3.00000  -116.91019  -133.46296  365
 Found four species comparison        co          coes        hmag        fee      4.00000    12.00000     3.00000     3.00000  -116.80244  -133.46296  366
 Found four species comparison        co          st          hepv        fea      4.00000    12.00000     4.00000     4.00000  -128.22633  -133.46296  367
 Found four species comparison        co          st          hepv        feg      4.00000    12.00000     4.00000     4.00000  -128.30899  -133.46296  368
 Found four species comparison        co          st          hepv        fee      4.00000    12.00000     4.00000     4.00000  -128.16533  -133.46296  369
 Found four species comparison        co          st          hlpv        fea      4.00000    12.00000     4.00000     4.00000  -125.13582  -133.46296  370
 Found four species comparison        co          st          hlpv        feg      4.00000    12.00000     4.00000     4.00000  -125.21849  -133.46296  371
 Found four species comparison        co          st          hlpv        fee      4.00000    12.00000     4.00000     4.00000  -125.07483  -133.46296  372
 Found four species comparison        co          st          hppv        fea      4.00000    12.00000     4.00000     4.00000  -126.61916  -133.46296  373
 Found four species comparison        co          st          hppv        feg      4.00000    12.00000     4.00000     4.00000  -126.70182  -133.46296  374
 Found four species comparison        co          st          hppv        fee      4.00000    12.00000     4.00000     4.00000  -126.55816  -133.46296  375
 Found four species comparison        co          st          lppv        fea      4.00000    12.00000     4.00000     4.00000  -116.81755  -133.46296  376
 Found four species comparison        co          st          lppv        feg      4.00000    12.00000     4.00000     4.00000  -116.90021  -133.46296  377
 Found four species comparison        co          st          lppv        fee      4.00000    12.00000     4.00000     4.00000  -116.75655  -133.46296  378
Found three species comparison        co          st          wu       4.00000    12.00000     3.00000  -133.46296  -133.46296  379
Found three species comparison        co          st          wuls     4.00000    12.00000     3.00000  -121.09493  -133.46296  380
 Found four species comparison        co          st          mag         fea      4.00000    12.00000     3.00000     3.00000  -129.20524  -133.46296  381
 Found four species comparison        co          st          mag         feg      4.00000    12.00000     3.00000     3.00000  -129.26724  -133.46296  382
 Found four species comparison        co          st          mag         fee      4.00000    12.00000     3.00000     3.00000  -129.15949  -133.46296  383
 Found four species comparison        co          st          hmag        fea      4.00000    12.00000     3.00000     3.00000  -131.43687  -133.46296  384
 Found four species comparison        co          st          hmag        feg      4.00000    12.00000     3.00000     3.00000  -131.49886  -133.46296  385
 Found four species comparison        co          st          hmag        fee      4.00000    12.00000     3.00000     3.00000  -131.39112  -133.46296  386
 Found four species comparison        co          apbo        hepv        fea      4.00000    12.00000     4.00000     4.00000  -125.69037  -133.46296  387
 Found four species comparison        co          apbo        hepv        feg      4.00000    12.00000     4.00000     4.00000  -125.77303  -133.46296  388
 Found four species comparison        co          apbo        hepv        fee      4.00000    12.00000     4.00000     4.00000  -125.62937  -133.46296  389
 Found four species comparison        co          apbo        hlpv        fea      4.00000    12.00000     4.00000     4.00000  -122.59987  -133.46296  390
 Found four species comparison        co          apbo        hlpv        feg      4.00000    12.00000     4.00000     4.00000  -122.68253  -133.46296  391
 Found four species comparison        co          apbo        hlpv        fee      4.00000    12.00000     4.00000     4.00000  -122.53887  -133.46296  392
 Found four species comparison        co          apbo        hppv        fea      4.00000    12.00000     4.00000     4.00000  -124.08321  -133.46296  393
 Found four species comparison        co          apbo        hppv        feg      4.00000    12.00000     4.00000     4.00000  -124.16587  -133.46296  394
 Found four species comparison        co          apbo        hppv        fee      4.00000    12.00000     4.00000     4.00000  -124.02221  -133.46296  395
 Found four species comparison        co          apbo        lppv        fea      4.00000    12.00000     4.00000     4.00000  -114.28159  -133.46296  396
 Found four species comparison        co          apbo        lppv        feg      4.00000    12.00000     4.00000     4.00000  -114.36425  -133.46296  397
 Found four species comparison        co          apbo        lppv        fee      4.00000    12.00000     4.00000     4.00000  -114.22059  -133.46296  398
Found three species comparison        co          apbo        wu       4.00000    12.00000     3.00000  -130.92701  -133.46296  399
Found three species comparison        co          apbo        wuls     4.00000    12.00000     3.00000  -118.55897  -133.46296  400
 Found four species comparison        co          apbo        mag         fea      4.00000    12.00000     3.00000     3.00000  -126.66928  -133.46296  401
 Found four species comparison        co          apbo        mag         feg      4.00000    12.00000     3.00000     3.00000  -126.73128  -133.46296  402
 Found four species comparison        co          apbo        mag         fee      4.00000    12.00000     3.00000     3.00000  -126.62353  -133.46296  403
 Found four species comparison        co          apbo        hmag        fea      4.00000    12.00000     3.00000     3.00000  -128.90091  -133.46296  404
 Found four species comparison        co          apbo        hmag        feg      4.00000    12.00000     3.00000     3.00000  -128.96291  -133.46296  405
 Found four species comparison        co          apbo        hmag        fee      4.00000    12.00000     3.00000     3.00000  -128.85516  -133.46296  406
  Found two species comparison        co          fepv     4.00000    12.00000  -129.22878  -133.46296  407
  Found two species comparison        co          flpv     4.00000    12.00000  -110.78334  -133.46296  408
  Found two species comparison        co          fppv     4.00000    12.00000  -127.11799  -133.46296  409
 Found four species comparison        hem         qtz         alpv        fea      4.00000    12.00000     4.00000     4.00000  -108.84352  -133.46296  410
 Found four species comparison        hem         qtz         alpv        feg      4.00000    12.00000     4.00000     4.00000  -108.92618  -133.46296  411
 Found four species comparison        hem         qtz         alpv        fee      4.00000    12.00000     4.00000     4.00000  -108.78252  -133.46296  412
 Found four species comparison        hem         qtz         appv        fea      4.00000    12.00000     4.00000     4.00000  -103.09496  -133.46296  413
 Found four species comparison        hem         qtz         appv        feg      4.00000    12.00000     4.00000     4.00000  -103.17762  -133.46296  414
 Found four species comparison        hem         qtz         appv        fee      4.00000    12.00000     4.00000     4.00000  -103.03396  -133.46296  415
 Found four species comparison        hem         qtz         fecf        fea      2.66667    12.00000     4.00000     2.66667  -110.80792  -133.46296  416
 Found four species comparison        hem         qtz         fecf        feg      2.66667    12.00000     4.00000     2.66667  -110.86303  -133.46296  417
 Found four species comparison        hem         qtz         fecf        fee      2.66667    12.00000     4.00000     2.66667  -110.76726  -133.46296  418
 Found four species comparison        hem         qtz         ky          fea      4.00000     8.00000     4.00000     4.00000  -113.68744  -133.46296  419
 Found four species comparison        hem         qtz         ky          feg      4.00000     8.00000     4.00000     4.00000  -113.77010  -133.46296  420
 Found four species comparison        hem         qtz         ky          fee      4.00000     8.00000     4.00000     4.00000  -113.62644  -133.46296  421
 Found four species comparison        hem         coes        alpv        fea      4.00000    12.00000     4.00000     4.00000  -111.85111  -133.46296  422
 Found four species comparison        hem         coes        alpv        feg      4.00000    12.00000     4.00000     4.00000  -111.93377  -133.46296  423
 Found four species comparison        hem         coes        alpv        fee      4.00000    12.00000     4.00000     4.00000  -111.79011  -133.46296  424
 Found four species comparison        hem         coes        appv        fea      4.00000    12.00000     4.00000     4.00000  -106.10255  -133.46296  425
 Found four species comparison        hem         coes        appv        feg      4.00000    12.00000     4.00000     4.00000  -106.18521  -133.46296  426
 Found four species comparison        hem         coes        appv        fee      4.00000    12.00000     4.00000     4.00000  -106.04155  -133.46296  427
 Found four species comparison        hem         coes        fecf        fea      2.66667    12.00000     4.00000     2.66667  -113.81552  -133.46296  428
 Found four species comparison        hem         coes        fecf        feg      2.66667    12.00000     4.00000     2.66667  -113.87062  -133.46296  429
 Found four species comparison        hem         coes        fecf        fee      2.66667    12.00000     4.00000     2.66667  -113.77485  -133.46296  430
 Found four species comparison        hem         coes        ky          fea      4.00000     8.00000     4.00000     4.00000  -115.69250  -133.46296  431
 Found four species comparison        hem         coes        ky          feg      4.00000     8.00000     4.00000     4.00000  -115.77516  -133.46296  432
 Found four species comparison        hem         coes        ky          fee      4.00000     8.00000     4.00000     4.00000  -115.63150  -133.46296  433
 Found four species comparison        hem         st          alpv        fea      4.00000    12.00000     4.00000     4.00000  -126.43979  -133.46296  434
 Found four species comparison        hem         st          alpv        feg      4.00000    12.00000     4.00000     4.00000  -126.52245  -133.46296  435
 Found four species comparison        hem         st          alpv        fee      4.00000    12.00000     4.00000     4.00000  -126.37879  -133.46296  436
 Found four species comparison        hem         st          appv        fea      4.00000    12.00000     4.00000     4.00000  -120.69123  -133.46296  437
 Found four species comparison        hem         st          appv        feg      4.00000    12.00000     4.00000     4.00000  -120.77389  -133.46296  438
 Found four species comparison        hem         st          appv        fee      4.00000    12.00000     4.00000     4.00000  -120.63023  -133.46296  439
 Found four species comparison        hem         st          fecf        fea      2.66667    12.00000     4.00000     2.66667  -128.40419  -133.46296  440
 Found four species comparison        hem         st          fecf        feg      2.66667    12.00000     4.00000     2.66667  -128.45930  -133.46296  441
 Found four species comparison        hem         st          fecf        fee      2.66667    12.00000     4.00000     2.66667  -128.36353  -133.46296  442
 Found four species comparison        hem         st          ky          fea      4.00000     8.00000     4.00000     4.00000  -125.41828  -133.46296  443
 Found four species comparison        hem         st          ky          feg      4.00000     8.00000     4.00000     4.00000  -125.50094  -133.46296  444
 Found four species comparison        hem         st          ky          fee      4.00000     8.00000     4.00000     4.00000  -125.35728  -133.46296  445
 Found four species comparison        hem         apbo        alpv        fea      4.00000    12.00000     4.00000     4.00000  -123.90383  -133.46296  446
 Found four species comparison        hem         apbo        alpv        feg      4.00000    12.00000     4.00000     4.00000  -123.98649  -133.46296  447
 Found four species comparison        hem         apbo        alpv        fee      4.00000    12.00000     4.00000     4.00000  -123.84283  -133.46296  448
 Found four species comparison        hem         apbo        appv        fea      4.00000    12.00000     4.00000     4.00000  -118.15527  -133.46296  449
 Found four species comparison        hem         apbo        appv        feg      4.00000    12.00000     4.00000     4.00000  -118.23793  -133.46296  450
 Found four species comparison        hem         apbo        appv        fee      4.00000    12.00000     4.00000     4.00000  -118.09427  -133.46296  451
 Found four species comparison        hem         apbo        fecf        fea      2.66667    12.00000     4.00000     2.66667  -125.86824  -133.46296  452
 Found four species comparison        hem         apbo        fecf        feg      2.66667    12.00000     4.00000     2.66667  -125.92334  -133.46296  453
 Found four species comparison        hem         apbo        fecf        fee      2.66667    12.00000     4.00000     2.66667  -125.82757  -133.46296  454
 Found four species comparison        hem         apbo        ky          fea      4.00000     8.00000     4.00000     4.00000  -123.72764  -133.46296  455
 Found four species comparison        hem         apbo        ky          feg      4.00000     8.00000     4.00000     4.00000  -123.81030  -133.46296  456
 Found four species comparison        hem         apbo        ky          fee      4.00000     8.00000     4.00000     4.00000  -123.66664  -133.46296  457
 Found four species comparison        hem         fepv        ky          fea      1.33333     8.00000     4.00000     1.33333  -126.24370  -133.46296  458
 Found four species comparison        hem         fepv        ky          feg      1.33333     8.00000     4.00000     1.33333  -126.27125  -133.46296  459
 Found four species comparison        hem         fepv        ky          fee      1.33333     8.00000     4.00000     1.33333  -126.22336  -133.46296  460
 Found four species comparison        hem         flpv        ky          fea      1.33333     8.00000     4.00000     1.33333  -113.94674  -133.46296  461
 Found four species comparison        hem         flpv        ky          feg      1.33333     8.00000     4.00000     1.33333  -113.97429  -133.46296  462
 Found four species comparison        hem         flpv        ky          fee      1.33333     8.00000     4.00000     1.33333  -113.92640  -133.46296  463
 Found four species comparison        hem         fppv        ky          fea      1.33333     8.00000     4.00000     1.33333  -124.83651  -133.46296  464
 Found four species comparison        hem         fppv        ky          feg      1.33333     8.00000     4.00000     1.33333  -124.86406  -133.46296  465
 Found four species comparison        hem         fppv        ky          fee      1.33333     8.00000     4.00000     1.33333  -124.81617  -133.46296  466
  Found one species comparison        al       4.00000  -129.93343  -133.46296  467
Found three species comparison        qtz         fepv        fecf     4.00000     8.00000     4.00000  -123.36419  -133.46296  468
 Found four species comparison        qtz         alpv        hepv        fea     12.00000     4.00000     4.00000     4.00000  -111.38445  -133.46296  469
 Found four species comparison        qtz         alpv        hepv        feg     12.00000     4.00000     4.00000     4.00000  -111.46712  -133.46296  470
 Found four species comparison        qtz         alpv        hepv        fee     12.00000     4.00000     4.00000     4.00000  -111.32346  -133.46296  471
 Found four species comparison        qtz         alpv        hlpv        fea     12.00000     4.00000     4.00000     4.00000  -108.29395  -133.46296  472
 Found four species comparison        qtz         alpv        hlpv        feg     12.00000     4.00000     4.00000     4.00000  -108.37661  -133.46296  473
 Found four species comparison        qtz         alpv        hlpv        fee     12.00000     4.00000     4.00000     4.00000  -108.23295  -133.46296  474
 Found four species comparison        qtz         alpv        hppv        fea     12.00000     4.00000     4.00000     4.00000  -107.47203  -133.46296  475
 Found four species comparison        qtz         alpv        hppv        feg     12.00000     4.00000     4.00000     4.00000  -107.55469  -133.46296  476
 Found four species comparison        qtz         alpv        hppv        fee     12.00000     4.00000     4.00000     4.00000  -107.41103  -133.46296  477
 Found four species comparison        qtz         alpv        lppv        fea     12.00000     4.00000     4.00000     4.00000   -97.67041  -133.46296  478
 Found four species comparison        qtz         alpv        lppv        feg     12.00000     4.00000     4.00000     4.00000   -97.75307  -133.46296  479
 Found four species comparison        qtz         alpv        lppv        fee     12.00000     4.00000     4.00000     4.00000   -97.60941  -133.46296  480
Found three species comparison        qtz         alpv        wu      12.00000     4.00000     3.00000  -114.31583  -133.46296  481
Found three species comparison        qtz         alpv        wuls    12.00000     4.00000     3.00000  -101.94779  -133.46296  482
 Found four species comparison        qtz         alpv        mag         fea     12.00000     4.00000     3.00000     3.00000  -110.05810  -133.46296  483
 Found four species comparison        qtz         alpv        mag         feg     12.00000     4.00000     3.00000     3.00000  -110.12010  -133.46296  484
 Found four species comparison        qtz         alpv        mag         fee     12.00000     4.00000     3.00000     3.00000  -110.01235  -133.46296  485
 Found four species comparison        qtz         alpv        hmag        fea     12.00000     4.00000     3.00000     3.00000  -112.28973  -133.46296  486
 Found four species comparison        qtz         alpv        hmag        feg     12.00000     4.00000     3.00000     3.00000  -112.35173  -133.46296  487
 Found four species comparison        qtz         alpv        hmag        fee     12.00000     4.00000     3.00000     3.00000  -112.24398  -133.46296  488
 Found four species comparison        qtz         hepv        appv        fea     12.00000     4.00000     4.00000     4.00000  -103.33063  -133.46296  489
 Found four species comparison        qtz         hepv        appv        feg     12.00000     4.00000     4.00000     4.00000  -103.41329  -133.46296  490
 Found four species comparison        qtz         hepv        appv        fee     12.00000     4.00000     4.00000     4.00000  -103.26963  -133.46296  491
 Found four species comparison        qtz         hepv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -110.96504  -133.46296  492
 Found four species comparison        qtz         hepv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -111.02015  -133.46296  493
 Found four species comparison        qtz         hepv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -110.92437  -133.46296  494
 Found four species comparison        qtz         hepv        ky          fea      8.00000     4.00000     4.00000     4.00000  -113.92311  -133.46296  495
 Found four species comparison        qtz         hepv        ky          feg      8.00000     4.00000     4.00000     4.00000  -114.00577  -133.46296  496
 Found four species comparison        qtz         hepv        ky          fee      8.00000     4.00000     4.00000     4.00000  -113.86211  -133.46296  497
 Found four species comparison        qtz         hlpv        appv        fea     12.00000     4.00000     4.00000     4.00000  -100.24013  -133.46296  498
 Found four species comparison        qtz         hlpv        appv        feg     12.00000     4.00000     4.00000     4.00000  -100.32279  -133.46296  499
 Found four species comparison        qtz         hlpv        appv        fee     12.00000     4.00000     4.00000     4.00000  -100.17913  -133.46296  500
 Found four species comparison        qtz         hlpv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -108.90470  -133.46296  501
 Found four species comparison        qtz         hlpv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -108.95981  -133.46296  502
 Found four species comparison        qtz         hlpv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -108.86404  -133.46296  503
 Found four species comparison        qtz         hlpv        ky          fea      8.00000     4.00000     4.00000     4.00000  -110.83260  -133.46296  504
 Found four species comparison        qtz         hlpv        ky          feg      8.00000     4.00000     4.00000     4.00000  -110.91527  -133.46296  505
 Found four species comparison        qtz         hlpv        ky          fee      8.00000     4.00000     4.00000     4.00000  -110.77161  -133.46296  506
 Found four species comparison        qtz         fapv        wu          mag     12.00000     8.00000     4.00000    -4.00000   -89.72486  -133.46296  507
 Found four species comparison        qtz         fapv        wuls        mag     12.00000     8.00000     4.00000    -4.00000   -73.23415  -133.46296  508
Found three species comparison        qtz         fapv        fea     12.00000     8.00000     4.00000   -82.40554  -133.46296  509
Found three species comparison        qtz         fapv        feg     12.00000     8.00000     4.00000   -82.48820  -133.46296  510
Found three species comparison        qtz         fapv        fee     12.00000     8.00000     4.00000   -82.34454  -133.46296  511
Found three species comparison        qtz         flpv        fecf     4.00000     8.00000     4.00000  -111.06722  -133.46296  512
Found three species comparison        qtz         fppv        fecf     4.00000     8.00000     4.00000  -121.95699  -133.46296  513
 Found four species comparison        qtz         appv        hppv        fea     12.00000     4.00000     4.00000     4.00000  -104.02873  -133.46296  514
 Found four species comparison        qtz         appv        hppv        feg     12.00000     4.00000     4.00000     4.00000  -104.11139  -133.46296  515
 Found four species comparison        qtz         appv        hppv        fee     12.00000     4.00000     4.00000     4.00000  -103.96773  -133.46296  516
 Found four species comparison        qtz         appv        lppv        fea     12.00000     4.00000     4.00000     4.00000   -94.22711  -133.46296  517
 Found four species comparison        qtz         appv        lppv        feg     12.00000     4.00000     4.00000     4.00000   -94.30977  -133.46296  518
 Found four species comparison        qtz         appv        lppv        fee     12.00000     4.00000     4.00000     4.00000   -94.16611  -133.46296  519
Found three species comparison        qtz         appv        wu      12.00000     4.00000     3.00000  -108.56727  -133.46296  520
Found three species comparison        qtz         appv        wuls    12.00000     4.00000     3.00000   -96.19923  -133.46296  521
 Found four species comparison        qtz         appv        mag         fea     12.00000     4.00000     3.00000     3.00000  -104.30954  -133.46296  522
 Found four species comparison        qtz         appv        mag         feg     12.00000     4.00000     3.00000     3.00000  -104.37154  -133.46296  523
 Found four species comparison        qtz         appv        mag         fee     12.00000     4.00000     3.00000     3.00000  -104.26379  -133.46296  524
 Found four species comparison        qtz         appv        hmag        fea     12.00000     4.00000     3.00000     3.00000  -106.54117  -133.46296  525
 Found four species comparison        qtz         appv        hmag        feg     12.00000     4.00000     3.00000     3.00000  -106.60317  -133.46296  526
 Found four species comparison        qtz         appv        hmag        fee     12.00000     4.00000     3.00000     3.00000  -106.49542  -133.46296  527
 Found four species comparison        qtz         hppv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -109.89360  -133.46296  528
 Found four species comparison        qtz         hppv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -109.94870  -133.46296  529
 Found four species comparison        qtz         hppv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -109.85293  -133.46296  530
 Found four species comparison        qtz         hppv        ky          fea      8.00000     4.00000     4.00000     4.00000  -112.31594  -133.46296  531
 Found four species comparison        qtz         hppv        ky          feg      8.00000     4.00000     4.00000     4.00000  -112.39861  -133.46296  532
 Found four species comparison        qtz         hppv        ky          fee      8.00000     4.00000     4.00000     4.00000  -112.25494  -133.46296  533
 Found four species comparison        qtz         lppv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -103.35918  -133.46296  534
 Found four species comparison        qtz         lppv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -103.41429  -133.46296  535
 Found four species comparison        qtz         lppv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -103.31852  -133.46296  536
 Found four species comparison        qtz         lppv        ky          fea      8.00000     4.00000     4.00000     4.00000  -102.51433  -133.46296  537
 Found four species comparison        qtz         lppv        ky          feg      8.00000     4.00000     4.00000     4.00000  -102.59699  -133.46296  538
 Found four species comparison        qtz         lppv        ky          fee      8.00000     4.00000     4.00000     4.00000  -102.45333  -133.46296  539
Found three species comparison        qtz         wu          fecf    12.00000     2.00000     4.00000  -114.45613  -133.46296  540
Found three species comparison        qtz         wu          ky       8.00000     3.00000     4.00000  -119.15974  -133.46296  541
Found three species comparison        qtz         wuls        fecf    12.00000     2.00000     4.00000  -106.21077  -133.46296  542
Found three species comparison        qtz         wuls        ky       8.00000     3.00000     4.00000  -106.79171  -133.46296  543
 Found four species comparison        qtz         mag         fecf        fea     12.00000     2.00000     4.00000     2.00000  -111.61765  -133.46296  544
 Found four species comparison        qtz         mag         fecf        feg     12.00000     2.00000     4.00000     2.00000  -111.65898  -133.46296  545
 Found four species comparison        qtz         mag         fecf        fee     12.00000     2.00000     4.00000     2.00000  -111.58715  -133.46296  546
 Found four species comparison        qtz         mag         ky          fea      8.00000     3.00000     4.00000     3.00000  -114.90202  -133.46296  547
 Found four species comparison        qtz         mag         ky          feg      8.00000     3.00000     4.00000     3.00000  -114.96402  -133.46296  548
 Found four species comparison        qtz         mag         ky          fee      8.00000     3.00000     4.00000     3.00000  -114.85627  -133.46296  549
 Found four species comparison        qtz         fecf        hmag        fea     12.00000     4.00000     2.00000     2.00000  -115.48692  -133.46296  550
 Found four species comparison        qtz         fecf        hmag        feg     12.00000     4.00000     2.00000     2.00000  -115.52826  -133.46296  551
 Found four species comparison        qtz         fecf        hmag        fee     12.00000     4.00000     2.00000     2.00000  -115.45643  -133.46296  552
 Found four species comparison        qtz         hmag        ky          fea      8.00000     3.00000     4.00000     3.00000  -117.13365  -133.46296  553
 Found four species comparison        qtz         hmag        ky          feg      8.00000     3.00000     4.00000     3.00000  -117.19565  -133.46296  554
 Found four species comparison        qtz         hmag        ky          fee      8.00000     3.00000     4.00000     3.00000  -117.08790  -133.46296  555
Found three species comparison        coes        fepv        fecf     4.00000     8.00000     4.00000  -124.36672  -133.46296  556
 Found four species comparison        coes        alpv        hepv        fea     12.00000     4.00000     4.00000     4.00000  -114.39205  -133.46296  557
 Found four species comparison        coes        alpv        hepv        feg     12.00000     4.00000     4.00000     4.00000  -114.47471  -133.46296  558
 Found four species comparison        coes        alpv        hepv        fee     12.00000     4.00000     4.00000     4.00000  -114.33105  -133.46296  559
 Found four species comparison        coes        alpv        hlpv        fea     12.00000     4.00000     4.00000     4.00000  -111.30154  -133.46296  560
 Found four species comparison        coes        alpv        hlpv        feg     12.00000     4.00000     4.00000     4.00000  -111.38421  -133.46296  561
 Found four species comparison        coes        alpv        hlpv        fee     12.00000     4.00000     4.00000     4.00000  -111.24054  -133.46296  562
 Found four species comparison        coes        alpv        hppv        fea     12.00000     4.00000     4.00000     4.00000  -110.47962  -133.46296  563
 Found four species comparison        coes        alpv        hppv        feg     12.00000     4.00000     4.00000     4.00000  -110.56228  -133.46296  564
 Found four species comparison        coes        alpv        hppv        fee     12.00000     4.00000     4.00000     4.00000  -110.41862  -133.46296  565
 Found four species comparison        coes        alpv        lppv        fea     12.00000     4.00000     4.00000     4.00000  -100.67800  -133.46296  566
 Found four species comparison        coes        alpv        lppv        feg     12.00000     4.00000     4.00000     4.00000  -100.76067  -133.46296  567
 Found four species comparison        coes        alpv        lppv        fee     12.00000     4.00000     4.00000     4.00000  -100.61700  -133.46296  568
Found three species comparison        coes        alpv        wu      12.00000     4.00000     3.00000  -117.32342  -133.46296  569
Found three species comparison        coes        alpv        wuls    12.00000     4.00000     3.00000  -104.95539  -133.46296  570
 Found four species comparison        coes        alpv        mag         fea     12.00000     4.00000     3.00000     3.00000  -113.06570  -133.46296  571
 Found four species comparison        coes        alpv        mag         feg     12.00000     4.00000     3.00000     3.00000  -113.12769  -133.46296  572
 Found four species comparison        coes        alpv        mag         fee     12.00000     4.00000     3.00000     3.00000  -113.01995  -133.46296  573
 Found four species comparison        coes        alpv        hmag        fea     12.00000     4.00000     3.00000     3.00000  -115.29733  -133.46296  574
 Found four species comparison        coes        alpv        hmag        feg     12.00000     4.00000     3.00000     3.00000  -115.35932  -133.46296  575
 Found four species comparison        coes        alpv        hmag        fee     12.00000     4.00000     3.00000     3.00000  -115.25158  -133.46296  576
 Found four species comparison        coes        hepv        appv        fea     12.00000     4.00000     4.00000     4.00000  -106.33822  -133.46296  577
 Found four species comparison        coes        hepv        appv        feg     12.00000     4.00000     4.00000     4.00000  -106.42089  -133.46296  578
 Found four species comparison        coes        hepv        appv        fee     12.00000     4.00000     4.00000     4.00000  -106.27722  -133.46296  579
 Found four species comparison        coes        hepv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -113.97263  -133.46296  580
 Found four species comparison        coes        hepv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -114.02774  -133.46296  581
 Found four species comparison        coes        hepv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -113.93197  -133.46296  582
 Found four species comparison        coes        hepv        ky          fea      8.00000     4.00000     4.00000     4.00000  -115.92817  -133.46296  583
 Found four species comparison        coes        hepv        ky          feg      8.00000     4.00000     4.00000     4.00000  -116.01083  -133.46296  584
 Found four species comparison        coes        hepv        ky          fee      8.00000     4.00000     4.00000     4.00000  -115.86717  -133.46296  585
 Found four species comparison        coes        hlpv        appv        fea     12.00000     4.00000     4.00000     4.00000  -103.24772  -133.46296  586
 Found four species comparison        coes        hlpv        appv        feg     12.00000     4.00000     4.00000     4.00000  -103.33038  -133.46296  587
 Found four species comparison        coes        hlpv        appv        fee     12.00000     4.00000     4.00000     4.00000  -103.18672  -133.46296  588
 Found four species comparison        coes        hlpv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -111.91230  -133.46296  589
 Found four species comparison        coes        hlpv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -111.96740  -133.46296  590
 Found four species comparison        coes        hlpv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -111.87163  -133.46296  591
 Found four species comparison        coes        hlpv        ky          fea      8.00000     4.00000     4.00000     4.00000  -112.83767  -133.46296  592
 Found four species comparison        coes        hlpv        ky          feg      8.00000     4.00000     4.00000     4.00000  -112.92033  -133.46296  593
 Found four species comparison        coes        hlpv        ky          fee      8.00000     4.00000     4.00000     4.00000  -112.77667  -133.46296  594
 Found four species comparison        coes        fapv        wu          mag     12.00000     8.00000     4.00000    -4.00000   -92.73245  -133.46296  595
 Found four species comparison        coes        fapv        wuls        mag     12.00000     8.00000     4.00000    -4.00000   -76.24174  -133.46296  596
Found three species comparison        coes        fapv        fea     12.00000     8.00000     4.00000   -85.41313  -133.46296  597
Found three species comparison        coes        fapv        feg     12.00000     8.00000     4.00000   -85.49579  -133.46296  598
Found three species comparison        coes        fapv        fee     12.00000     8.00000     4.00000   -85.35213  -133.46296  599
Found three species comparison        coes        flpv        fecf     4.00000     8.00000     4.00000  -112.06976  -133.46296  600
Found three species comparison        coes        fppv        fecf     4.00000     8.00000     4.00000  -122.95952  -133.46296  601
 Found four species comparison        coes        appv        hppv        fea     12.00000     4.00000     4.00000     4.00000  -107.03632  -133.46296  602
 Found four species comparison        coes        appv        hppv        feg     12.00000     4.00000     4.00000     4.00000  -107.11898  -133.46296  603
 Found four species comparison        coes        appv        hppv        fee     12.00000     4.00000     4.00000     4.00000  -106.97532  -133.46296  604
 Found four species comparison        coes        appv        lppv        fea     12.00000     4.00000     4.00000     4.00000   -97.23470  -133.46296  605
 Found four species comparison        coes        appv        lppv        feg     12.00000     4.00000     4.00000     4.00000   -97.31736  -133.46296  606
 Found four species comparison        coes        appv        lppv        fee     12.00000     4.00000     4.00000     4.00000   -97.17370  -133.46296  607
Found three species comparison        coes        appv        wu      12.00000     4.00000     3.00000  -111.57486  -133.46296  608
Found three species comparison        coes        appv        wuls    12.00000     4.00000     3.00000   -99.20683  -133.46296  609
 Found four species comparison        coes        appv        mag         fea     12.00000     4.00000     3.00000     3.00000  -107.31713  -133.46296  610
 Found four species comparison        coes        appv        mag         feg     12.00000     4.00000     3.00000     3.00000  -107.37913  -133.46296  611
 Found four species comparison        coes        appv        mag         fee     12.00000     4.00000     3.00000     3.00000  -107.27139  -133.46296  612
 Found four species comparison        coes        appv        hmag        fea     12.00000     4.00000     3.00000     3.00000  -109.54876  -133.46296  613
 Found four species comparison        coes        appv        hmag        feg     12.00000     4.00000     3.00000     3.00000  -109.61076  -133.46296  614
 Found four species comparison        coes        appv        hmag        fee     12.00000     4.00000     3.00000     3.00000  -109.50301  -133.46296  615
 Found four species comparison        coes        hppv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -112.90119  -133.46296  616
 Found four species comparison        coes        hppv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -112.95630  -133.46296  617
 Found four species comparison        coes        hppv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -112.86052  -133.46296  618
 Found four species comparison        coes        hppv        ky          fea      8.00000     4.00000     4.00000     4.00000  -114.32101  -133.46296  619
 Found four species comparison        coes        hppv        ky          feg      8.00000     4.00000     4.00000     4.00000  -114.40367  -133.46296  620
 Found four species comparison        coes        hppv        ky          fee      8.00000     4.00000     4.00000     4.00000  -114.26001  -133.46296  621
 Found four species comparison        coes        lppv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -106.36678  -133.46296  622
 Found four species comparison        coes        lppv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -106.42188  -133.46296  623
 Found four species comparison        coes        lppv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -106.32611  -133.46296  624
 Found four species comparison        coes        lppv        ky          fea      8.00000     4.00000     4.00000     4.00000  -104.51939  -133.46296  625
 Found four species comparison        coes        lppv        ky          feg      8.00000     4.00000     4.00000     4.00000  -104.60205  -133.46296  626
 Found four species comparison        coes        lppv        ky          fee      8.00000     4.00000     4.00000     4.00000  -104.45839  -133.46296  627
Found three species comparison        coes        wu          fecf    12.00000     2.00000     4.00000  -117.46372  -133.46296  628
Found three species comparison        coes        wu          ky       8.00000     3.00000     4.00000  -121.16481  -133.46296  629
Found three species comparison        coes        wuls        fecf    12.00000     2.00000     4.00000  -109.21837  -133.46296  630
Found three species comparison        coes        wuls        ky       8.00000     3.00000     4.00000  -108.79677  -133.46296  631
 Found four species comparison        coes        mag         fecf        fea     12.00000     2.00000     4.00000     2.00000  -114.62524  -133.46296  632
 Found four species comparison        coes        mag         fecf        feg     12.00000     2.00000     4.00000     2.00000  -114.66657  -133.46296  633
 Found four species comparison        coes        mag         fecf        fee     12.00000     2.00000     4.00000     2.00000  -114.59474  -133.46296  634
 Found four species comparison        coes        mag         ky          fea      8.00000     3.00000     4.00000     3.00000  -116.90708  -133.46296  635
 Found four species comparison        coes        mag         ky          feg      8.00000     3.00000     4.00000     3.00000  -116.96908  -133.46296  636
 Found four species comparison        coes        mag         ky          fee      8.00000     3.00000     4.00000     3.00000  -116.86133  -133.46296  637
 Found four species comparison        coes        fecf        hmag        fea     12.00000     4.00000     2.00000     2.00000  -118.49452  -133.46296  638
 Found four species comparison        coes        fecf        hmag        feg     12.00000     4.00000     2.00000     2.00000  -118.53585  -133.46296  639
 Found four species comparison        coes        fecf        hmag        fee     12.00000     4.00000     2.00000     2.00000  -118.46402  -133.46296  640
 Found four species comparison        coes        hmag        ky          fea      8.00000     3.00000     4.00000     3.00000  -119.13871  -133.46296  641
 Found four species comparison        coes        hmag        ky          feg      8.00000     3.00000     4.00000     3.00000  -119.20071  -133.46296  642
 Found four species comparison        coes        hmag        ky          fee      8.00000     3.00000     4.00000     3.00000  -119.09296  -133.46296  643
Found three species comparison        st          fepv        fecf     4.00000     8.00000     4.00000  -129.22961  -133.46296  644
 Found four species comparison        st          alpv        hepv        fea     12.00000     4.00000     4.00000     4.00000  -128.98072  -133.46296  645
 Found four species comparison        st          alpv        hepv        feg     12.00000     4.00000     4.00000     4.00000  -129.06338  -133.46296  646
 Found four species comparison        st          alpv        hepv        fee     12.00000     4.00000     4.00000     4.00000  -128.91972  -133.46296  647
 Found four species comparison        st          alpv        hlpv        fea     12.00000     4.00000     4.00000     4.00000  -125.89022  -133.46296  648
 Found four species comparison        st          alpv        hlpv        feg     12.00000     4.00000     4.00000     4.00000  -125.97288  -133.46296  649
 Found four species comparison        st          alpv        hlpv        fee     12.00000     4.00000     4.00000     4.00000  -125.82922  -133.46296  650
 Found four species comparison        st          alpv        hppv        fea     12.00000     4.00000     4.00000     4.00000  -125.06830  -133.46296  651
 Found four species comparison        st          alpv        hppv        feg     12.00000     4.00000     4.00000     4.00000  -125.15096  -133.46296  652
 Found four species comparison        st          alpv        hppv        fee     12.00000     4.00000     4.00000     4.00000  -125.00730  -133.46296  653
 Found four species comparison        st          alpv        lppv        fea     12.00000     4.00000     4.00000     4.00000  -115.26668  -133.46296  654
 Found four species comparison        st          alpv        lppv        feg     12.00000     4.00000     4.00000     4.00000  -115.34934  -133.46296  655
 Found four species comparison        st          alpv        lppv        fee     12.00000     4.00000     4.00000     4.00000  -115.20568  -133.46296  656
Found three species comparison        st          alpv        wu      12.00000     4.00000     3.00000  -131.91210  -133.46296  657
Found three species comparison        st          alpv        wuls    12.00000     4.00000     3.00000  -119.54406  -133.46296  658
 Found four species comparison        st          alpv        mag         fea     12.00000     4.00000     3.00000     3.00000  -127.65437  -133.46296  659
 Found four species comparison        st          alpv        mag         feg     12.00000     4.00000     3.00000     3.00000  -127.71637  -133.46296  660
 Found four species comparison        st          alpv        mag         fee     12.00000     4.00000     3.00000     3.00000  -127.60862  -133.46296  661
 Found four species comparison        st          alpv        hmag        fea     12.00000     4.00000     3.00000     3.00000  -129.88600  -133.46296  662
 Found four species comparison        st          alpv        hmag        feg     12.00000     4.00000     3.00000     3.00000  -129.94800  -133.46296  663
 Found four species comparison        st          alpv        hmag        fee     12.00000     4.00000     3.00000     3.00000  -129.84025  -133.46296  664
 Found four species comparison        st          hepv        appv        fea     12.00000     4.00000     4.00000     4.00000  -120.92690  -133.46296  665
 Found four species comparison        st          hepv        appv        feg     12.00000     4.00000     4.00000     4.00000  -121.00956  -133.46296  666
 Found four species comparison        st          hepv        appv        fee     12.00000     4.00000     4.00000     4.00000  -120.86590  -133.46296  667
 Found four species comparison        st          hepv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -128.56131  -133.46296  668
 Found four species comparison        st          hepv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -128.61641  -133.46296  669
 Found four species comparison        st          hepv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -128.52064  -133.46296  670
 Found four species comparison        st          hepv        ky          fea      8.00000     4.00000     4.00000     4.00000  -125.65395  -133.46296  671
 Found four species comparison        st          hepv        ky          feg      8.00000     4.00000     4.00000     4.00000  -125.73662  -133.46296  672
 Found four species comparison        st          hepv        ky          fee      8.00000     4.00000     4.00000     4.00000  -125.59295  -133.46296  673
 Found four species comparison        st          hlpv        appv        fea     12.00000     4.00000     4.00000     4.00000  -117.83640  -133.46296  674
 Found four species comparison        st          hlpv        appv        feg     12.00000     4.00000     4.00000     4.00000  -117.91906  -133.46296  675
 Found four species comparison        st          hlpv        appv        fee     12.00000     4.00000     4.00000     4.00000  -117.77540  -133.46296  676
 Found four species comparison        st          hlpv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -126.50097  -133.46296  677
 Found four species comparison        st          hlpv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -126.55608  -133.46296  678
 Found four species comparison        st          hlpv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -126.46030  -133.46296  679
 Found four species comparison        st          hlpv        ky          fea      8.00000     4.00000     4.00000     4.00000  -122.56345  -133.46296  680
 Found four species comparison        st          hlpv        ky          feg      8.00000     4.00000     4.00000     4.00000  -122.64611  -133.46296  681
 Found four species comparison        st          hlpv        ky          fee      8.00000     4.00000     4.00000     4.00000  -122.50245  -133.46296  682
 Found four species comparison        st          fapv        wu          mag     12.00000     8.00000     4.00000    -4.00000  -107.32112  -133.46296  683
 Found four species comparison        st          fapv        wuls        mag     12.00000     8.00000     4.00000    -4.00000   -90.83041  -133.46296  684
Found three species comparison        st          fapv        fea     12.00000     8.00000     4.00000  -100.00181  -133.46296  685
Found three species comparison        st          fapv        feg     12.00000     8.00000     4.00000  -100.08447  -133.46296  686
Found three species comparison        st          fapv        fee     12.00000     8.00000     4.00000   -99.94081  -133.46296  687
Found three species comparison        st          flpv        fecf     4.00000     8.00000     4.00000  -116.93265  -133.46296  688
Found three species comparison        st          fppv        fecf     4.00000     8.00000     4.00000  -127.82242  -133.46296  689
 Found four species comparison        st          appv        hppv        fea     12.00000     4.00000     4.00000     4.00000  -121.62500  -133.46296  690
 Found four species comparison        st          appv        hppv        feg     12.00000     4.00000     4.00000     4.00000  -121.70766  -133.46296  691
 Found four species comparison        st          appv        hppv        fee     12.00000     4.00000     4.00000     4.00000  -121.56400  -133.46296  692
 Found four species comparison        st          appv        lppv        fea     12.00000     4.00000     4.00000     4.00000  -111.82338  -133.46296  693
 Found four species comparison        st          appv        lppv        feg     12.00000     4.00000     4.00000     4.00000  -111.90604  -133.46296  694
 Found four species comparison        st          appv        lppv        fee     12.00000     4.00000     4.00000     4.00000  -111.76238  -133.46296  695
Found three species comparison        st          appv        wu      12.00000     4.00000     3.00000  -126.16353  -133.46296  696
Found three species comparison        st          appv        wuls    12.00000     4.00000     3.00000  -113.79550  -133.46296  697
 Found four species comparison        st          appv        mag         fea     12.00000     4.00000     3.00000     3.00000  -121.90581  -133.46296  698
 Found four species comparison        st          appv        mag         feg     12.00000     4.00000     3.00000     3.00000  -121.96781  -133.46296  699
 Found four species comparison        st          appv        mag         fee     12.00000     4.00000     3.00000     3.00000  -121.86006  -133.46296  700
 Found four species comparison        st          appv        hmag        fea     12.00000     4.00000     3.00000     3.00000  -124.13744  -133.46296  701
 Found four species comparison        st          appv        hmag        feg     12.00000     4.00000     3.00000     3.00000  -124.19944  -133.46296  702
 Found four species comparison        st          appv        hmag        fee     12.00000     4.00000     3.00000     3.00000  -124.09169  -133.46296  703
 Found four species comparison        st          hppv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -127.48986  -133.46296  704
 Found four species comparison        st          hppv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -127.54497  -133.46296  705
 Found four species comparison        st          hppv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -127.44920  -133.46296  706
 Found four species comparison        st          hppv        ky          fea      8.00000     4.00000     4.00000     4.00000  -124.04679  -133.46296  707
 Found four species comparison        st          hppv        ky          feg      8.00000     4.00000     4.00000     4.00000  -124.12945  -133.46296  708
 Found four species comparison        st          hppv        ky          fee      8.00000     4.00000     4.00000     4.00000  -123.98579  -133.46296  709
 Found four species comparison        st          lppv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -120.95545  -133.46296  710
 Found four species comparison        st          lppv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -121.01056  -133.46296  711
 Found four species comparison        st          lppv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -120.91479  -133.46296  712
 Found four species comparison        st          lppv        ky          fea      8.00000     4.00000     4.00000     4.00000  -114.24517  -133.46296  713
 Found four species comparison        st          lppv        ky          feg      8.00000     4.00000     4.00000     4.00000  -114.32783  -133.46296  714
 Found four species comparison        st          lppv        ky          fee      8.00000     4.00000     4.00000     4.00000  -114.18417  -133.46296  715
Found three species comparison        st          wu          fecf    12.00000     2.00000     4.00000  -132.05240  -133.46296  716
Found three species comparison        st          wu          ky       8.00000     3.00000     4.00000  -130.89059  -133.46296  717
Found three species comparison        st          wuls        fecf    12.00000     2.00000     4.00000  -123.80704  -133.46296  718
Found three species comparison        st          wuls        ky       8.00000     3.00000     4.00000  -118.52256  -133.46296  719
 Found four species comparison        st          mag         fecf        fea     12.00000     2.00000     4.00000     2.00000  -129.21391  -133.46296  720
 Found four species comparison        st          mag         fecf        feg     12.00000     2.00000     4.00000     2.00000  -129.25524  -133.46296  721
 Found four species comparison        st          mag         fecf        fee     12.00000     2.00000     4.00000     2.00000  -129.18341  -133.46296  722
 Found four species comparison        st          mag         ky          fea      8.00000     3.00000     4.00000     3.00000  -126.63286  -133.46296  723
 Found four species comparison        st          mag         ky          feg      8.00000     3.00000     4.00000     3.00000  -126.69486  -133.46296  724
 Found four species comparison        st          mag         ky          fee      8.00000     3.00000     4.00000     3.00000  -126.58712  -133.46296  725
 Found four species comparison        st          fecf        hmag        fea     12.00000     4.00000     2.00000     2.00000  -133.08319  -133.46296  726
 Found four species comparison        st          fecf        hmag        feg     12.00000     4.00000     2.00000     2.00000  -133.12452  -133.46296  727
 Found four species comparison        st          fecf        hmag        fee     12.00000     4.00000     2.00000     2.00000  -133.05269  -133.46296  728
 Found four species comparison        st          hmag        ky          fea      8.00000     3.00000     4.00000     3.00000  -128.86449  -133.46296  729
 Found four species comparison        st          hmag        ky          feg      8.00000     3.00000     4.00000     3.00000  -128.92649  -133.46296  730
 Found four species comparison        st          hmag        ky          fee      8.00000     3.00000     4.00000     3.00000  -128.81874  -133.46296  731
Found three species comparison        apbo        fepv        fecf     4.00000     8.00000     4.00000  -128.38429  -133.46296  732
 Found four species comparison        apbo        alpv        hepv        fea     12.00000     4.00000     4.00000     4.00000  -126.44477  -133.46296  733
 Found four species comparison        apbo        alpv        hepv        feg     12.00000     4.00000     4.00000     4.00000  -126.52743  -133.46296  734
 Found four species comparison        apbo        alpv        hepv        fee     12.00000     4.00000     4.00000     4.00000  -126.38377  -133.46296  735
 Found four species comparison        apbo        alpv        hlpv        fea     12.00000     4.00000     4.00000     4.00000  -123.35426  -133.46296  736
 Found four species comparison        apbo        alpv        hlpv        feg     12.00000     4.00000     4.00000     4.00000  -123.43692  -133.46296  737
 Found four species comparison        apbo        alpv        hlpv        fee     12.00000     4.00000     4.00000     4.00000  -123.29326  -133.46296  738
 Found four species comparison        apbo        alpv        hppv        fea     12.00000     4.00000     4.00000     4.00000  -122.53234  -133.46296  739
 Found four species comparison        apbo        alpv        hppv        feg     12.00000     4.00000     4.00000     4.00000  -122.61500  -133.46296  740
 Found four species comparison        apbo        alpv        hppv        fee     12.00000     4.00000     4.00000     4.00000  -122.47134  -133.46296  741
 Found four species comparison        apbo        alpv        lppv        fea     12.00000     4.00000     4.00000     4.00000  -112.73072  -133.46296  742
 Found four species comparison        apbo        alpv        lppv        feg     12.00000     4.00000     4.00000     4.00000  -112.81338  -133.46296  743
 Found four species comparison        apbo        alpv        lppv        fee     12.00000     4.00000     4.00000     4.00000  -112.66972  -133.46296  744
Found three species comparison        apbo        alpv        wu      12.00000     4.00000     3.00000  -129.37614  -133.46296  745
Found three species comparison        apbo        alpv        wuls    12.00000     4.00000     3.00000  -117.00811  -133.46296  746
 Found four species comparison        apbo        alpv        mag         fea     12.00000     4.00000     3.00000     3.00000  -125.11842  -133.46296  747
 Found four species comparison        apbo        alpv        mag         feg     12.00000     4.00000     3.00000     3.00000  -125.18041  -133.46296  748
 Found four species comparison        apbo        alpv        mag         fee     12.00000     4.00000     3.00000     3.00000  -125.07267  -133.46296  749
 Found four species comparison        apbo        alpv        hmag        fea     12.00000     4.00000     3.00000     3.00000  -127.35004  -133.46296  750
 Found four species comparison        apbo        alpv        hmag        feg     12.00000     4.00000     3.00000     3.00000  -127.41204  -133.46296  751
 Found four species comparison        apbo        alpv        hmag        fee     12.00000     4.00000     3.00000     3.00000  -127.30430  -133.46296  752
 Found four species comparison        apbo        hepv        appv        fea     12.00000     4.00000     4.00000     4.00000  -118.39094  -133.46296  753
 Found four species comparison        apbo        hepv        appv        feg     12.00000     4.00000     4.00000     4.00000  -118.47360  -133.46296  754
 Found four species comparison        apbo        hepv        appv        fee     12.00000     4.00000     4.00000     4.00000  -118.32994  -133.46296  755
 Found four species comparison        apbo        hepv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -126.02535  -133.46296  756
 Found four species comparison        apbo        hepv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -126.08046  -133.46296  757
 Found four species comparison        apbo        hepv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -125.98468  -133.46296  758
 Found four species comparison        apbo        hepv        ky          fea      8.00000     4.00000     4.00000     4.00000  -123.96332  -133.46296  759
 Found four species comparison        apbo        hepv        ky          feg      8.00000     4.00000     4.00000     4.00000  -124.04598  -133.46296  760
 Found four species comparison        apbo        hepv        ky          fee      8.00000     4.00000     4.00000     4.00000  -123.90232  -133.46296  761
 Found four species comparison        apbo        hlpv        appv        fea     12.00000     4.00000     4.00000     4.00000  -115.30044  -133.46296  762
 Found four species comparison        apbo        hlpv        appv        feg     12.00000     4.00000     4.00000     4.00000  -115.38310  -133.46296  763
 Found four species comparison        apbo        hlpv        appv        fee     12.00000     4.00000     4.00000     4.00000  -115.23944  -133.46296  764
 Found four species comparison        apbo        hlpv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -123.96501  -133.46296  765
 Found four species comparison        apbo        hlpv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -124.02012  -133.46296  766
 Found four species comparison        apbo        hlpv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -123.92435  -133.46296  767
 Found four species comparison        apbo        hlpv        ky          fea      8.00000     4.00000     4.00000     4.00000  -120.87281  -133.46296  768
 Found four species comparison        apbo        hlpv        ky          feg      8.00000     4.00000     4.00000     4.00000  -120.95547  -133.46296  769
 Found four species comparison        apbo        hlpv        ky          fee      8.00000     4.00000     4.00000     4.00000  -120.81181  -133.46296  770
 Found four species comparison        apbo        fapv        wu          mag     12.00000     8.00000     4.00000    -4.00000  -104.78517  -133.46296  771
 Found four species comparison        apbo        fapv        wuls        mag     12.00000     8.00000     4.00000    -4.00000   -88.29446  -133.46296  772
Found three species comparison        apbo        fapv        fea     12.00000     8.00000     4.00000   -97.46585  -133.46296  773
Found three species comparison        apbo        fapv        feg     12.00000     8.00000     4.00000   -97.54851  -133.46296  774
Found three species comparison        apbo        fapv        fee     12.00000     8.00000     4.00000   -97.40485  -133.46296  775
Found three species comparison        apbo        flpv        fecf     4.00000     8.00000     4.00000  -116.08733  -133.46296  776
Found three species comparison        apbo        fppv        fecf     4.00000     8.00000     4.00000  -126.97710  -133.46296  777
 Found four species comparison        apbo        appv        hppv        fea     12.00000     4.00000     4.00000     4.00000  -119.08904  -133.46296  778
 Found four species comparison        apbo        appv        hppv        feg     12.00000     4.00000     4.00000     4.00000  -119.17170  -133.46296  779
 Found four species comparison        apbo        appv        hppv        fee     12.00000     4.00000     4.00000     4.00000  -119.02804  -133.46296  780
 Found four species comparison        apbo        appv        lppv        fea     12.00000     4.00000     4.00000     4.00000  -109.28742  -133.46296  781
 Found four species comparison        apbo        appv        lppv        feg     12.00000     4.00000     4.00000     4.00000  -109.37008  -133.46296  782
 Found four species comparison        apbo        appv        lppv        fee     12.00000     4.00000     4.00000     4.00000  -109.22642  -133.46296  783
Found three species comparison        apbo        appv        wu      12.00000     4.00000     3.00000  -123.62758  -133.46296  784
Found three species comparison        apbo        appv        wuls    12.00000     4.00000     3.00000  -111.25954  -133.46296  785
 Found four species comparison        apbo        appv        mag         fea     12.00000     4.00000     3.00000     3.00000  -119.36985  -133.46296  786
 Found four species comparison        apbo        appv        mag         feg     12.00000     4.00000     3.00000     3.00000  -119.43185  -133.46296  787
 Found four species comparison        apbo        appv        mag         fee     12.00000     4.00000     3.00000     3.00000  -119.32410  -133.46296  788
 Found four species comparison        apbo        appv        hmag        fea     12.00000     4.00000     3.00000     3.00000  -121.60148  -133.46296  789
 Found four species comparison        apbo        appv        hmag        feg     12.00000     4.00000     3.00000     3.00000  -121.66348  -133.46296  790
 Found four species comparison        apbo        appv        hmag        fee     12.00000     4.00000     3.00000     3.00000  -121.55573  -133.46296  791
 Found four species comparison        apbo        hppv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -124.95391  -133.46296  792
 Found four species comparison        apbo        hppv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -125.00902  -133.46296  793
 Found four species comparison        apbo        hppv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -124.91324  -133.46296  794
 Found four species comparison        apbo        hppv        ky          fea      8.00000     4.00000     4.00000     4.00000  -122.35615  -133.46296  795
 Found four species comparison        apbo        hppv        ky          feg      8.00000     4.00000     4.00000     4.00000  -122.43881  -133.46296  796
 Found four species comparison        apbo        hppv        ky          fee      8.00000     4.00000     4.00000     4.00000  -122.29515  -133.46296  797
 Found four species comparison        apbo        lppv        fecf        fea     12.00000     2.66667     4.00000     2.66667  -118.41950  -133.46296  798
 Found four species comparison        apbo        lppv        fecf        feg     12.00000     2.66667     4.00000     2.66667  -118.47460  -133.46296  799
 Found four species comparison        apbo        lppv        fecf        fee     12.00000     2.66667     4.00000     2.66667  -118.37883  -133.46296  800
 Found four species comparison        apbo        lppv        ky          fea      8.00000     4.00000     4.00000     4.00000  -112.55453  -133.46296  801
 Found four species comparison        apbo        lppv        ky          feg      8.00000     4.00000     4.00000     4.00000  -112.63720  -133.46296  802
 Found four species comparison        apbo        lppv        ky          fee      8.00000     4.00000     4.00000     4.00000  -112.49354  -133.46296  803
Found three species comparison        apbo        wu          fecf    12.00000     2.00000     4.00000  -129.51644  -133.46296  804
Found three species comparison        apbo        wu          ky       8.00000     3.00000     4.00000  -129.19995  -133.46296  805
Found three species comparison        apbo        wuls        fecf    12.00000     2.00000     4.00000  -121.27108  -133.46296  806
Found three species comparison        apbo        wuls        ky       8.00000     3.00000     4.00000  -116.83192  -133.46296  807
 Found four species comparison        apbo        mag         fecf        fea     12.00000     2.00000     4.00000     2.00000  -126.67796  -133.46296  808
 Found four species comparison        apbo        mag         fecf        feg     12.00000     2.00000     4.00000     2.00000  -126.71929  -133.46296  809
 Found four species comparison        apbo        mag         fecf        fee     12.00000     2.00000     4.00000     2.00000  -126.64746  -133.46296  810
 Found four species comparison        apbo        mag         ky          fea      8.00000     3.00000     4.00000     3.00000  -124.94223  -133.46296  811
 Found four species comparison        apbo        mag         ky          feg      8.00000     3.00000     4.00000     3.00000  -125.00422  -133.46296  812
 Found four species comparison        apbo        mag         ky          fee      8.00000     3.00000     4.00000     3.00000  -124.89648  -133.46296  813
 Found four species comparison        apbo        fecf        hmag        fea     12.00000     4.00000     2.00000     2.00000  -130.54724  -133.46296  814
 Found four species comparison        apbo        fecf        hmag        feg     12.00000     4.00000     2.00000     2.00000  -130.58857  -133.46296  815
 Found four species comparison        apbo        fecf        hmag        fee     12.00000     4.00000     2.00000     2.00000  -130.51674  -133.46296  816
 Found four species comparison        apbo        hmag        ky          fea      8.00000     3.00000     4.00000     3.00000  -127.17386  -133.46296  817
 Found four species comparison        apbo        hmag        ky          feg      8.00000     3.00000     4.00000     3.00000  -127.23585  -133.46296  818
 Found four species comparison        apbo        hmag        ky          fee      8.00000     3.00000     4.00000     3.00000  -127.12811  -133.46296  819
  Found two species comparison        fepv        alpv    12.00000     4.00000  -131.41833  -133.46296  820
 Found four species comparison        fepv        hepv        ky          fea      8.00000     1.33333     4.00000     1.33333  -127.91354  -133.46296  821
 Found four species comparison        fepv        hepv        ky          feg      8.00000     1.33333     4.00000     1.33333  -127.94110  -133.46296  822
 Found four species comparison        fepv        hepv        ky          fee      8.00000     1.33333     4.00000     1.33333  -127.89321  -133.46296  823
 Found four species comparison        fepv        hlpv        ky          fea      8.00000     1.33333     4.00000     1.33333  -126.88337  -133.46296  824
 Found four species comparison        fepv        hlpv        ky          feg      8.00000     1.33333     4.00000     1.33333  -126.91093  -133.46296  825
 Found four species comparison        fepv        hlpv        ky          fee      8.00000     1.33333     4.00000     1.33333  -126.86304  -133.46296  826
 Found four species comparison        fepv        fapv        ky          fea      9.00000     2.00000     3.00000     1.00000  -122.16098  -133.46296  827
 Found four species comparison        fepv        fapv        ky          feg      9.00000     2.00000     3.00000     1.00000  -122.18164  -133.46296  828
 Found four species comparison        fepv        fapv        ky          fee      9.00000     2.00000     3.00000     1.00000  -122.14573  -133.46296  829
  Found two species comparison        fepv        appv    12.00000     4.00000  -121.92935  -133.46296  830
 Found four species comparison        fepv        hppv        ky          fea      8.00000     1.33333     4.00000     1.33333  -125.78653  -133.46296  831
 Found four species comparison        fepv        hppv        ky          feg      8.00000     1.33333     4.00000     1.33333  -125.81409  -133.46296  832
 Found four species comparison        fepv        hppv        ky          fee      8.00000     1.33333     4.00000     1.33333  -125.76620  -133.46296  833
 Found four species comparison        fepv        lppv        ky          fea      8.00000     1.33333     4.00000     1.33333  -122.51933  -133.46296  834
 Found four species comparison        fepv        lppv        ky          feg      8.00000     1.33333     4.00000     1.33333  -122.54688  -133.46296  835
 Found four species comparison        fepv        lppv        ky          fee      8.00000     1.33333     4.00000     1.33333  -122.49899  -133.46296  836
Found three species comparison        fepv        wu          ky       8.00000     1.00000     4.00000  -128.06780  -133.46296  837
Found three species comparison        fepv        wuls        ky       8.00000     1.00000     4.00000  -123.94512  -133.46296  838
 Found four species comparison        fepv        mag         ky          fea      8.00000     1.00000     4.00000     1.00000  -126.64856  -133.46296  839
 Found four species comparison        fepv        mag         ky          feg      8.00000     1.00000     4.00000     1.00000  -126.66922  -133.46296  840
 Found four species comparison        fepv        mag         ky          fee      8.00000     1.00000     4.00000     1.00000  -126.63331  -133.46296  841
Found three species comparison        fepv        fecf        ky      10.00000     2.00000     2.00000  -127.94301  -133.46296  842
 Found four species comparison        fepv        hmag        ky          fea      8.00000     1.00000     4.00000     1.00000  -127.39244  -133.46296  843
 Found four species comparison        fepv        hmag        ky          feg      8.00000     1.00000     4.00000     1.00000  -127.41310  -133.46296  844
 Found four species comparison        fepv        hmag        ky          fee      8.00000     1.00000     4.00000     1.00000  -127.37719  -133.46296  845
  Found two species comparison        alpv        flpv     4.00000    12.00000  -112.97289  -133.46296  846
  Found two species comparison        alpv        fppv     4.00000    12.00000  -125.56712  -133.46296  847
 Found four species comparison        hepv        flpv        ky          fea      1.33333     8.00000     4.00000     1.33333  -115.61658  -133.46296  848
 Found four species comparison        hepv        flpv        ky          feg      1.33333     8.00000     4.00000     1.33333  -115.64413  -133.46296  849
 Found four species comparison        hepv        flpv        ky          fee      1.33333     8.00000     4.00000     1.33333  -115.59625  -133.46296  850
 Found four species comparison        hepv        fppv        ky          fea      1.33333     8.00000     4.00000     1.33333  -124.91506  -133.46296  851
 Found four species comparison        hepv        fppv        ky          feg      1.33333     8.00000     4.00000     1.33333  -124.94262  -133.46296  852
 Found four species comparison        hepv        fppv        ky          fee      1.33333     8.00000     4.00000     1.33333  -124.89473  -133.46296  853
 Found four species comparison        hlpv        flpv        ky          fea      1.33333     8.00000     4.00000     1.33333  -114.58641  -133.46296  854
 Found four species comparison        hlpv        flpv        ky          feg      1.33333     8.00000     4.00000     1.33333  -114.61397  -133.46296  855
 Found four species comparison        hlpv        flpv        ky          fee      1.33333     8.00000     4.00000     1.33333  -114.56608  -133.46296  856
 Found four species comparison        hlpv        fppv        ky          fea      1.33333     8.00000     4.00000     1.33333  -123.88489  -133.46296  857
 Found four species comparison        hlpv        fppv        ky          feg      1.33333     8.00000     4.00000     1.33333  -123.91245  -133.46296  858
 Found four species comparison        hlpv        fppv        ky          fee      1.33333     8.00000     4.00000     1.33333  -123.86456  -133.46296  859
 Found four species comparison        fapv        flpv        ky          fea      2.00000     9.00000     3.00000     1.00000  -108.32689  -133.46296  860
 Found four species comparison        fapv        flpv        ky          feg      2.00000     9.00000     3.00000     1.00000  -108.34756  -133.46296  861
 Found four species comparison        fapv        flpv        ky          fee      2.00000     9.00000     3.00000     1.00000  -108.31165  -133.46296  862
 Found four species comparison        fapv        fppv        ky          fea      2.00000     9.00000     3.00000     1.00000  -118.40966  -133.46296  863
 Found four species comparison        fapv        fppv        ky          feg      2.00000     9.00000     3.00000     1.00000  -118.43033  -133.46296  864
 Found four species comparison        fapv        fppv        ky          fee      2.00000     9.00000     3.00000     1.00000  -118.39442  -133.46296  865
  Found two species comparison        flpv        appv    12.00000     4.00000  -103.48391  -133.46296  866
 Found four species comparison        flpv        hppv        ky          fea      8.00000     1.33333     4.00000     1.33333  -113.48957  -133.46296  867
 Found four species comparison        flpv        hppv        ky          feg      8.00000     1.33333     4.00000     1.33333  -113.51713  -133.46296  868
 Found four species comparison        flpv        hppv        ky          fee      8.00000     1.33333     4.00000     1.33333  -113.46924  -133.46296  869
 Found four species comparison        flpv        lppv        ky          fea      8.00000     1.33333     4.00000     1.33333  -110.22237  -133.46296  870
 Found four species comparison        flpv        lppv        ky          feg      8.00000     1.33333     4.00000     1.33333  -110.24992  -133.46296  871
 Found four species comparison        flpv        lppv        ky          fee      8.00000     1.33333     4.00000     1.33333  -110.20203  -133.46296  872
Found three species comparison        flpv        wu          ky       8.00000     1.00000     4.00000  -115.77084  -133.46296  873
Found three species comparison        flpv        wuls        ky       8.00000     1.00000     4.00000  -111.64816  -133.46296  874
 Found four species comparison        flpv        mag         ky          fea      8.00000     1.00000     4.00000     1.00000  -114.35160  -133.46296  875
 Found four species comparison        flpv        mag         ky          feg      8.00000     1.00000     4.00000     1.00000  -114.37226  -133.46296  876
 Found four species comparison        flpv        mag         ky          fee      8.00000     1.00000     4.00000     1.00000  -114.33635  -133.46296  877
Found three species comparison        flpv        fecf        ky      10.00000     2.00000     2.00000  -112.57181  -133.46296  878
 Found four species comparison        flpv        hmag        ky          fea      8.00000     1.00000     4.00000     1.00000  -115.09547  -133.46296  879
 Found four species comparison        flpv        hmag        ky          feg      8.00000     1.00000     4.00000     1.00000  -115.11614  -133.46296  880
 Found four species comparison        flpv        hmag        ky          fee      8.00000     1.00000     4.00000     1.00000  -115.08022  -133.46296  881
  Found two species comparison        fppv        appv    12.00000     4.00000  -122.24648  -133.46296  882
 Found four species comparison        fppv        hppv        ky          fea      8.00000     1.33333     4.00000     1.33333  -125.47063  -133.46296  883
 Found four species comparison        fppv        hppv        ky          feg      8.00000     1.33333     4.00000     1.33333  -125.49818  -133.46296  884
 Found four species comparison        fppv        hppv        ky          fee      8.00000     1.33333     4.00000     1.33333  -125.45030  -133.46296  885
 Found four species comparison        fppv        lppv        ky          fea      8.00000     1.33333     4.00000     1.33333  -122.70342  -133.46296  886
 Found four species comparison        fppv        lppv        ky          feg      8.00000     1.33333     4.00000     1.33333  -122.73098  -133.46296  887
 Found four species comparison        fppv        lppv        ky          fee      8.00000     1.33333     4.00000     1.33333  -122.68309  -133.46296  888
Found three species comparison        fppv        wu          ky       8.00000     1.00000     4.00000  -126.66061  -133.46296  889
Found three species comparison        fppv        wuls        ky       8.00000     1.00000     4.00000  -122.53793  -133.46296  890
 Found four species comparison        fppv        mag         ky          fea      8.00000     1.00000     4.00000     1.00000  -125.24137  -133.46296  891
 Found four species comparison        fppv        mag         ky          feg      8.00000     1.00000     4.00000     1.00000  -125.26203  -133.46296  892
 Found four species comparison        fppv        mag         ky          fee      8.00000     1.00000     4.00000     1.00000  -125.22612  -133.46296  893
Found three species comparison        fppv        fecf        ky      10.00000     2.00000     2.00000  -126.18402  -133.46296  894
 Found four species comparison        fppv        hmag        ky          fea      8.00000     1.00000     4.00000     1.00000  -125.98524  -133.46296  895
 Found four species comparison        fppv        hmag        ky          feg      8.00000     1.00000     4.00000     1.00000  -126.00591  -133.46296  896
 Found four species comparison        fppv        hmag        ky          fee      8.00000     1.00000     4.00000     1.00000  -125.96999  -133.46296  897
 436 jdcen              4.00   2.00   0.00   0.00   1.00   1.00  12.00
Number of non-zero components,phases,Gapp    5    1      -265.27922        13.50000      1823.00000
 Found four species comparison        ab          sp          en          namj     0.33333     0.08333     0.66667     0.33333  -260.33743  -265.27922    1
 Found four species comparison        ab          sp          cen         namj     0.33333     0.08333     0.66667     0.33333  -260.02125  -265.27922    2
 Found four species comparison        ab          sp          mgc2        namj     0.33333     0.08333     0.66667     0.33333  -260.39568  -265.27922    3
 Found four species comparison        ab          sp          mgil        namj     0.33333     0.08333     1.33333     0.33333  -259.44705  -265.27922    4
 Found four species comparison        ab          sp          mgmj        namj     0.33333     0.08333     0.33333     0.33333  -260.24722  -265.27922    5
 Found four species comparison        ab          sp          namj        mgpv     0.33333     0.08333     0.33333     1.33333  -258.58296  -265.27922    6
 Found four species comparison        ab          sp          namj        mppv     0.33333     0.08333     0.33333     1.33333  -255.34231  -265.27922    7
  Found two species comparison        ab          fo       1.00000     1.00000  -256.92400  -265.27922    8
  Found two species comparison        ab          mgwa     1.00000     1.00000  -256.83332  -265.27922    9
  Found two species comparison        ab          mgri     1.00000     1.00000  -256.54656  -265.27922   10
 Found four species comparison        ab          en          namj        mgcf     0.33333     0.66667     0.33333     0.33333  -260.07548  -265.27922   11
 Found four species comparison        ab          en          namj        mnal     0.37500     0.75000     0.25000     0.12500  -260.22223  -265.27922   12
Found three species comparison        ab          en          pe       1.00000     0.50000     0.25000  -256.39072  -265.27922   13
Found three species comparison        ab          en          anao     0.66667     1.00000     0.16667  -258.54034  -265.27922   14
Found three species comparison        ab          en          nacf     0.50000     1.00000     0.50000  -259.72980  -265.27922   15
Found three species comparison        ab          en          nnal     0.50000     1.00000     0.16667  -259.33065  -265.27922   16
Found three species comparison        ab          en          neph     0.50000     1.00000     0.50000  -258.35461  -265.27922   17
 Found four species comparison        ab          cen         namj        mgcf     0.33333     0.66667     0.33333     0.33333  -259.75930  -265.27922   18
 Found four species comparison        ab          cen         namj        mnal     0.37500     0.75000     0.25000     0.12500  -259.86652  -265.27922   19
Found three species comparison        ab          cen         pe       1.00000     0.50000     0.25000  -256.15358  -265.27922   20
Found three species comparison        ab          cen         anao     0.66667     1.00000     0.16667  -258.06607  -265.27922   21
Found three species comparison        ab          cen         nacf     0.50000     1.00000     0.50000  -259.25553  -265.27922   22
Found three species comparison        ab          cen         nnal     0.50000     1.00000     0.16667  -258.85638  -265.27922   23
Found three species comparison        ab          cen         neph     0.50000     1.00000     0.50000  -257.88033  -265.27922   24
 Found four species comparison        ab          mgc2        namj        mgcf     0.33333     0.66667     0.33333     0.33333  -260.13374  -265.27922   25
 Found four species comparison        ab          mgc2        namj        mnal     0.37500     0.75000     0.25000     0.12500  -260.28776  -265.27922   26
Found three species comparison        ab          mgc2        pe       1.00000     0.50000     0.25000  -256.43441  -265.27922   27
Found three species comparison        ab          mgc2        anao     0.66667     1.00000     0.16667  -258.62772  -265.27922   28
Found three species comparison        ab          mgc2        nacf     0.50000     1.00000     0.50000  -259.81718  -265.27922   29
Found three species comparison        ab          mgc2        nnal     0.50000     1.00000     0.16667  -259.41803  -265.27922   30
Found three species comparison        ab          mgc2        neph     0.50000     1.00000     0.50000  -258.44199  -265.27922   31
 Found four species comparison        ab          mgil        namj        mgcf     0.33333     1.33333     0.33333     0.33333  -259.18510  -265.27922   32
 Found four species comparison        ab          mgil        namj        mnal     0.37500     1.50000     0.25000     0.12500  -259.22055  -265.27922   33
Found three species comparison        ab          mgil        pe       1.00000     1.00000     0.25000  -255.72294  -265.27922   34
Found three species comparison        ab          mgil        anao     0.66667     2.00000     0.16667  -257.20477  -265.27922   35
Found three species comparison        ab          mgil        nacf     0.50000     2.00000     0.50000  -258.39423  -265.27922   36
Found three species comparison        ab          mgil        nnal     0.50000     2.00000     0.16667  -257.99508  -265.27922   37
Found three species comparison        ab          mgil        neph     0.50000     2.00000     0.50000  -257.01904  -265.27922   38
 Found four species comparison        ab          mgmj        namj        mgcf     0.33333     0.33333     0.33333     0.33333  -259.98527  -265.27922   39
 Found four species comparison        ab          mgmj        namj        mnal     0.37500     0.37500     0.25000     0.12500  -260.09800  -265.27922   40
Found three species comparison        ab          mgmj        pe       1.00000     0.25000     0.25000  -256.14161  -265.27922   41
Found three species comparison        ab          mgmj        anao     0.66667     0.50000     0.16667  -258.04211  -265.27922   42
Found three species comparison        ab          mgmj        nacf     0.50000     0.50000     0.50000  -259.23157  -265.27922   43
Found three species comparison        ab          mgmj        nnal     0.50000     0.50000     0.16667  -258.83242  -265.27922   44
Found three species comparison        ab          mgmj        neph     0.50000     0.50000     0.50000  -257.85638  -265.27922   45
 Found four species comparison        ab          namj        mgpv        mgcf     0.33333     0.33333     1.33333     0.33333  -258.32101  -265.27922   46
 Found four species comparison        ab          namj        mgpv        mnal     0.37500     0.25000     1.50000     0.12500  -258.24844  -265.27922   47
 Found four species comparison        ab          namj        mppv        mgcf     0.33333     0.33333     1.33333     0.33333  -255.08037  -265.27922   48
 Found four species comparison        ab          namj        mppv        mnal     0.37500     0.25000     1.50000     0.12500  -254.60272  -265.27922   49
Found three species comparison        ab          qtz         pe       1.00000     1.00000     0.50000  -253.70066  -265.27922   50
Found three species comparison        ab          coes        pe       1.00000     1.00000     0.50000  -254.32284  -265.27922   51
Found three species comparison        ab          st          pe       1.00000     1.00000     0.50000  -255.11451  -265.27922   52
Found three species comparison        ab          apbo        pe       1.00000     1.00000     0.50000  -253.97040  -265.27922   53
Found three species comparison        ab          mgpv        pe       1.00000     1.00000     0.25000  -255.07487  -265.27922   54
Found three species comparison        ab          mgpv        anao     0.66667     2.00000     0.16667  -255.90863  -265.27922   55
Found three species comparison        ab          mgpv        nacf     0.50000     2.00000     0.50000  -257.09809  -265.27922   56
Found three species comparison        ab          mgpv        nnal     0.50000     2.00000     0.16667  -256.69894  -265.27922   57
Found three species comparison        ab          mgpv        neph     0.50000     2.00000     0.50000  -255.72290  -265.27922   58
Found three species comparison        ab          mppv        pe       1.00000     1.00000     0.25000  -252.64438  -265.27922   59
Found three species comparison        ab          mppv        anao     0.66667     2.00000     0.16667  -251.04766  -265.27922   60
Found three species comparison        ab          mppv        nacf     0.50000     2.00000     0.50000  -252.23713  -265.27922   61
Found three species comparison        ab          mppv        nnal     0.50000     2.00000     0.16667  -251.83798  -265.27922   62
Found three species comparison        ab          mppv        neph     0.50000     2.00000     0.50000  -250.86193  -265.27922   63
 Found four species comparison        sp          fo          namj        qtz      0.12500     0.50000     0.50000     1.00000  -259.88736  -265.27922   64
 Found four species comparison        sp          fo          namj        coes     0.12500     0.50000     0.50000     1.00000  -260.50955  -265.27922   65
 Found four species comparison        sp          fo          namj        st       0.12500     0.50000     0.50000     1.00000  -261.30122  -265.27922   66
 Found four species comparison        sp          fo          namj        apbo     0.12500     0.50000     0.50000     1.00000  -260.15710  -265.27922   67
 Found four species comparison        sp          mgwa        namj        qtz      0.12500     0.50000     0.50000     1.00000  -259.84202  -265.27922   68
 Found four species comparison        sp          mgwa        namj        coes     0.12500     0.50000     0.50000     1.00000  -260.46420  -265.27922   69
 Found four species comparison        sp          mgwa        namj        st       0.12500     0.50000     0.50000     1.00000  -261.25587  -265.27922   70
 Found four species comparison        sp          mgwa        namj        apbo     0.12500     0.50000     0.50000     1.00000  -260.11176  -265.27922   71
 Found four species comparison        sp          mgri        namj        qtz      0.12500     0.50000     0.50000     1.00000  -259.69864  -265.27922   72
 Found four species comparison        sp          mgri        namj        coes     0.12500     0.50000     0.50000     1.00000  -260.32082  -265.27922   73
 Found four species comparison        sp          mgri        namj        st       0.12500     0.50000     0.50000     1.00000  -261.11249  -265.27922   74
 Found four species comparison        sp          mgri        namj        apbo     0.12500     0.50000     0.50000     1.00000  -259.96838  -265.27922   75
 Found four species comparison        sp          en          namj        qtz      0.12500     0.50000     0.50000     0.50000  -260.96575  -265.27922   76
 Found four species comparison        sp          en          namj        coes     0.12500     0.50000     0.50000     0.50000  -261.27684  -265.27922   77
 Found four species comparison        sp          en          namj        st       0.12500     0.50000     0.50000     0.50000  -261.67268  -265.27922   78
 Found four species comparison        sp          en          namj        apbo     0.12500     0.50000     0.50000     0.50000  -261.10062  -265.27922   79
 Found four species comparison        sp          en          namj        ky       0.06250     0.62500     0.50000     0.25000  -261.90876  -265.27922   80
 Found four species comparison        sp          cen         namj        qtz      0.12500     0.50000     0.50000     0.50000  -260.72862  -265.27922   81
 Found four species comparison        sp          cen         namj        coes     0.12500     0.50000     0.50000     0.50000  -261.03971  -265.27922   82
 Found four species comparison        sp          cen         namj        st       0.12500     0.50000     0.50000     0.50000  -261.43554  -265.27922   83
 Found four species comparison        sp          cen         namj        apbo     0.12500     0.50000     0.50000     0.50000  -260.86348  -265.27922   84
 Found four species comparison        sp          cen         namj        ky       0.06250     0.62500     0.50000     0.25000  -261.61234  -265.27922   85
 Found four species comparison        sp          mgc2        namj        qtz      0.12500     0.50000     0.50000     0.50000  -261.00944  -265.27922   86
 Found four species comparison        sp          mgc2        namj        coes     0.12500     0.50000     0.50000     0.50000  -261.32053  -265.27922   87
 Found four species comparison        sp          mgc2        namj        st       0.12500     0.50000     0.50000     0.50000  -261.71637  -265.27922   88
 Found four species comparison        sp          mgc2        namj        apbo     0.12500     0.50000     0.50000     0.50000  -261.14431  -265.27922   89
 Found four species comparison        sp          mgc2        namj        ky       0.06250     0.62500     0.50000     0.25000  -261.96337  -265.27922   90
 Found four species comparison        sp          mgil        namj        qtz      0.12500     1.00000     0.50000     0.50000  -260.29797  -265.27922   91
 Found four species comparison        sp          mgil        namj        coes     0.12500     1.00000     0.50000     0.50000  -260.60906  -265.27922   92
 Found four species comparison        sp          mgil        namj        st       0.12500     1.00000     0.50000     0.50000  -261.00489  -265.27922   93
 Found four species comparison        sp          mgil        namj        apbo     0.12500     1.00000     0.50000     0.50000  -260.43284  -265.27922   94
 Found four species comparison        sp          mgil        namj        ky       0.06250     1.25000     0.50000     0.25000  -261.07403  -265.27922   95
 Found four species comparison        sp          mgmj        namj        qtz      0.12500     0.25000     0.50000     0.50000  -260.93559  -265.27922   96
 Found four species comparison        sp          mgmj        namj        coes     0.12500     0.25000     0.50000     0.50000  -261.24668  -265.27922   97
 Found four species comparison        sp          mgmj        namj        st       0.12500     0.25000     0.50000     0.50000  -261.64251  -265.27922   98
 Found four species comparison        sp          mgmj        namj        apbo     0.12500     0.25000     0.50000     0.50000  -261.07046  -265.27922   99
 Found four species comparison        sp          mgmj        namj        ky       0.06250     0.31250     0.50000     0.25000  -261.85305  -265.27922  100
 Found four species comparison        sp          namj        qtz         mgpv     0.12500     0.50000     0.50000     1.00000  -259.64990  -265.27922  101
 Found four species comparison        sp          namj        qtz         mppv     0.12500     0.50000     0.50000     1.00000  -257.21942  -265.27922  102
 Found four species comparison        sp          namj        qtz         pe       0.12500     0.50000     1.50000     0.25000  -258.27569  -265.27922  103
 Found four species comparison        sp          namj        coes        mgpv     0.12500     0.50000     0.50000     1.00000  -259.96099  -265.27922  104
 Found four species comparison        sp          namj        coes        mppv     0.12500     0.50000     0.50000     1.00000  -257.53051  -265.27922  105
 Found four species comparison        sp          namj        coes        pe       0.12500     0.50000     1.50000     0.25000  -259.20896  -265.27922  106
 Found four species comparison        sp          namj        st          mgpv     0.12500     0.50000     0.50000     1.00000  -260.35682  -265.27922  107
 Found four species comparison        sp          namj        st          mppv     0.12500     0.50000     0.50000     1.00000  -257.92634  -265.27922  108
 Found four species comparison        sp          namj        st          pe       0.12500     0.50000     1.50000     0.25000  -260.39647  -265.27922  109
 Found four species comparison        sp          namj        apbo        mgpv     0.12500     0.50000     0.50000     1.00000  -259.78477  -265.27922  110
 Found four species comparison        sp          namj        apbo        mppv     0.12500     0.50000     0.50000     1.00000  -257.35428  -265.27922  111
 Found four species comparison        sp          namj        apbo        pe       0.12500     0.50000     1.50000     0.25000  -258.68030  -265.27922  112
 Found four species comparison        sp          namj        mgpv        ky       0.06250     0.50000     1.25000     0.25000  -260.26394  -265.27922  113
 Found four species comparison        sp          namj        mppv        ky       0.06250     0.50000     1.25000     0.25000  -257.22584  -265.27922  114
 Found four species comparison        fo          en          namj        ky       0.50000     0.25000     0.50000     0.50000  -261.77338  -265.27922  115
 Found four species comparison        fo          mgts        namj        qtz      0.50000     0.50000     0.50000     0.50000  -260.42428  -265.27922  116
 Found four species comparison        fo          mgts        namj        coes     0.50000     0.50000     0.50000     0.50000  -260.73537  -265.27922  117
 Found four species comparison        fo          mgts        namj        st       0.50000     0.50000     0.50000     0.50000  -261.13121  -265.27922  118
 Found four species comparison        fo          mgts        namj        apbo     0.50000     0.50000     0.50000     0.50000  -260.55915  -265.27922  119
 Found four species comparison        fo          cen         namj        ky       0.50000     0.25000     0.50000     0.50000  -261.65481  -265.27922  120
Found three species comparison        fo          jd          qtz      1.00000     1.00000     1.00000  -262.64662  -265.27922  121
Found three species comparison        fo          jd          coes     1.00000     1.00000     1.00000  -263.26880  -265.27922  122
Found three species comparison        fo          jd          st       1.00000     1.00000     1.00000  -264.06047  -265.27922  123
Found three species comparison        fo          jd          apbo     1.00000     1.00000     1.00000  -262.91636  -265.27922  124
 Found four species comparison        fo          mgc2        namj        ky       0.50000     0.25000     0.50000     0.50000  -261.79523  -265.27922  125
 Found four species comparison        fo          mgil        namj        ky       0.50000     0.50000     0.50000     0.50000  -261.43949  -265.27922  126
 Found four species comparison        fo          co          namj        qtz      0.75000     0.50000     0.50000     0.75000  -260.44705  -265.27922  127
 Found four species comparison        fo          co          namj        coes     0.75000     0.50000     0.50000     0.75000  -260.91369  -265.27922  128
 Found four species comparison        fo          co          namj        st       0.75000     0.50000     0.50000     0.75000  -261.50744  -265.27922  129
 Found four species comparison        fo          co          namj        apbo     0.75000     0.50000     0.50000     0.75000  -260.64936  -265.27922  130
 Found four species comparison        fo          mgmj        namj        ky       0.50000     0.12500     0.50000     0.50000  -261.78966  -265.27922  131
 Found four species comparison        fo          namj        qtz         alpv     0.75000     0.50000     0.75000     0.50000  -259.39216  -265.27922  132
 Found four species comparison        fo          namj        qtz         appv     0.75000     0.50000     0.75000     0.50000  -255.99652  -265.27922  133
 Found four species comparison        fo          namj        qtz         mgcf     0.50000     0.50000     1.00000     0.50000  -259.49444  -265.27922  134
 Found four species comparison        fo          namj        qtz         mnal     0.60000     0.40000     1.20000     0.20000  -259.61302  -265.27922  135
 Found four species comparison        fo          namj        qtz         ky       0.75000     0.50000     0.25000     0.50000  -261.23419  -265.27922  136
 Found four species comparison        fo          namj        coes        alpv     0.75000     0.50000     0.75000     0.50000  -259.85880  -265.27922  137
 Found four species comparison        fo          namj        coes        appv     0.75000     0.50000     0.75000     0.50000  -256.46316  -265.27922  138
 Found four species comparison        fo          namj        coes        mgcf     0.50000     0.50000     1.00000     0.50000  -260.11663  -265.27922  139
 Found four species comparison        fo          namj        coes        mnal     0.60000     0.40000     1.20000     0.20000  -260.35964  -265.27922  140
 Found four species comparison        fo          namj        coes        ky       0.75000     0.50000     0.25000     0.50000  -261.38973  -265.27922  141
 Found four species comparison        fo          namj        st          alpv     0.75000     0.50000     0.75000     0.50000  -260.45255  -265.27922  142
 Found four species comparison        fo          namj        st          appv     0.75000     0.50000     0.75000     0.50000  -257.05691  -265.27922  143
 Found four species comparison        fo          namj        st          mgcf     0.50000     0.50000     1.00000     0.50000  -260.90830  -265.27922  144
 Found four species comparison        fo          namj        st          mnal     0.60000     0.40000     1.20000     0.20000  -261.30964  -265.27922  145
 Found four species comparison        fo          namj        st          ky       0.75000     0.50000     0.25000     0.50000  -261.58765  -265.27922  146
 Found four species comparison        fo          namj        apbo        alpv     0.75000     0.50000     0.75000     0.50000  -259.59446  -265.27922  147
 Found four species comparison        fo          namj        apbo        appv     0.75000     0.50000     0.75000     0.50000  -256.19882  -265.27922  148
 Found four species comparison        fo          namj        apbo        mgcf     0.50000     0.50000     1.00000     0.50000  -259.76418  -265.27922  149
 Found four species comparison        fo          namj        apbo        mnal     0.60000     0.40000     1.20000     0.20000  -259.93671  -265.27922  150
 Found four species comparison        fo          namj        apbo        ky       0.75000     0.50000     0.25000     0.50000  -261.30162  -265.27922  151
 Found four species comparison        fo          namj        mgpv        ky       0.50000     0.50000     0.50000     0.50000  -261.11545  -265.27922  152
 Found four species comparison        fo          namj        mppv        ky       0.50000     0.50000     0.50000     0.50000  -259.90021  -265.27922  153
Found three species comparison        fo          qtz         anao     1.00000     3.00000     0.50000  -255.30267  -265.27922  154
Found three species comparison        fo          qtz         nacf     1.00000     2.00000     1.00000  -258.22204  -265.27922  155
Found three species comparison        fo          qtz         nnal     1.00000     2.00000     0.33333  -257.42374  -265.27922  156
Found three species comparison        fo          qtz         neph     1.00000     2.00000     1.00000  -255.47165  -265.27922  157
Found three species comparison        fo          coes        anao     1.00000     3.00000     0.50000  -257.16922  -265.27922  158
Found three species comparison        fo          coes        nacf     1.00000     2.00000     1.00000  -259.46641  -265.27922  159
Found three species comparison        fo          coes        nnal     1.00000     2.00000     0.33333  -258.66810  -265.27922  160
Found three species comparison        fo          coes        neph     1.00000     2.00000     1.00000  -256.71602  -265.27922  161
Found three species comparison        fo          st          anao     1.00000     3.00000     0.50000  -259.54423  -265.27922  162
Found three species comparison        fo          st          nacf     1.00000     2.00000     1.00000  -261.04975  -265.27922  163
Found three species comparison        fo          st          nnal     1.00000     2.00000     0.33333  -260.25144  -265.27922  164
Found three species comparison        fo          st          neph     1.00000     2.00000     1.00000  -258.29936  -265.27922  165
Found three species comparison        fo          apbo        anao     1.00000     3.00000     0.50000  -256.11189  -265.27922  166
Found three species comparison        fo          apbo        nacf     1.00000     2.00000     1.00000  -258.76152  -265.27922  167
Found three species comparison        fo          apbo        nnal     1.00000     2.00000     0.33333  -257.96322  -265.27922  168
Found three species comparison        fo          apbo        neph     1.00000     2.00000     1.00000  -256.01113  -265.27922  169
 Found four species comparison        mgwa        en          namj        ky       0.50000     0.25000     0.50000     0.50000  -261.72804  -265.27922  170
 Found four species comparison        mgwa        mgts        namj        qtz      0.50000     0.50000     0.50000     0.50000  -260.37894  -265.27922  171
 Found four species comparison        mgwa        mgts        namj        coes     0.50000     0.50000     0.50000     0.50000  -260.69003  -265.27922  172
 Found four species comparison        mgwa        mgts        namj        st       0.50000     0.50000     0.50000     0.50000  -261.08587  -265.27922  173
 Found four species comparison        mgwa        mgts        namj        apbo     0.50000     0.50000     0.50000     0.50000  -260.51381  -265.27922  174
 Found four species comparison        mgwa        cen         namj        ky       0.50000     0.25000     0.50000     0.50000  -261.60947  -265.27922  175
Found three species comparison        mgwa        jd          qtz      1.00000     1.00000     1.00000  -262.55594  -265.27922  176
Found three species comparison        mgwa        jd          coes     1.00000     1.00000     1.00000  -263.17812  -265.27922  177
Found three species comparison        mgwa        jd          st       1.00000     1.00000     1.00000  -263.96979  -265.27922  178
Found three species comparison        mgwa        jd          apbo     1.00000     1.00000     1.00000  -262.82568  -265.27922  179
 Found four species comparison        mgwa        mgc2        namj        ky       0.50000     0.25000     0.50000     0.50000  -261.74988  -265.27922  180
 Found four species comparison        mgwa        mgil        namj        ky       0.50000     0.50000     0.50000     0.50000  -261.39415  -265.27922  181
 Found four species comparison        mgwa        co          namj        qtz      0.75000     0.50000     0.50000     0.75000  -260.37904  -265.27922  182
 Found four species comparison        mgwa        co          namj        coes     0.75000     0.50000     0.50000     0.75000  -260.84568  -265.27922  183
 Found four species comparison        mgwa        co          namj        st       0.75000     0.50000     0.50000     0.75000  -261.43943  -265.27922  184
 Found four species comparison        mgwa        co          namj        apbo     0.75000     0.50000     0.50000     0.75000  -260.58134  -265.27922  185
 Found four species comparison        mgwa        mgmj        namj        ky       0.50000     0.12500     0.50000     0.50000  -261.74432  -265.27922  186
 Found four species comparison        mgwa        namj        qtz         alpv     0.75000     0.50000     0.75000     0.50000  -259.32415  -265.27922  187
 Found four species comparison        mgwa        namj        qtz         appv     0.75000     0.50000     0.75000     0.50000  -255.92851  -265.27922  188
 Found four species comparison        mgwa        namj        qtz         mgcf     0.50000     0.50000     1.00000     0.50000  -259.44910  -265.27922  189
 Found four species comparison        mgwa        namj        qtz         mnal     0.60000     0.40000     1.20000     0.20000  -259.55861  -265.27922  190
 Found four species comparison        mgwa        namj        qtz         ky       0.75000     0.50000     0.25000     0.50000  -261.16617  -265.27922  191
 Found four species comparison        mgwa        namj        coes        alpv     0.75000     0.50000     0.75000     0.50000  -259.79079  -265.27922  192
 Found four species comparison        mgwa        namj        coes        appv     0.75000     0.50000     0.75000     0.50000  -256.39514  -265.27922  193
 Found four species comparison        mgwa        namj        coes        mgcf     0.50000     0.50000     1.00000     0.50000  -260.07128  -265.27922  194
 Found four species comparison        mgwa        namj        coes        mnal     0.60000     0.40000     1.20000     0.20000  -260.30523  -265.27922  195
 Found four species comparison        mgwa        namj        coes        ky       0.75000     0.50000     0.25000     0.50000  -261.32172  -265.27922  196
 Found four species comparison        mgwa        namj        st          alpv     0.75000     0.50000     0.75000     0.50000  -260.38454  -265.27922  197
 Found four species comparison        mgwa        namj        st          appv     0.75000     0.50000     0.75000     0.50000  -256.98890  -265.27922  198
 Found four species comparison        mgwa        namj        st          mgcf     0.50000     0.50000     1.00000     0.50000  -260.86295  -265.27922  199
 Found four species comparison        mgwa        namj        st          mnal     0.60000     0.40000     1.20000     0.20000  -261.25523  -265.27922  200
 Found four species comparison        mgwa        namj        st          ky       0.75000     0.50000     0.25000     0.50000  -261.51964  -265.27922  201
 Found four species comparison        mgwa        namj        apbo        alpv     0.75000     0.50000     0.75000     0.50000  -259.52645  -265.27922  202
 Found four species comparison        mgwa        namj        apbo        appv     0.75000     0.50000     0.75000     0.50000  -256.13081  -265.27922  203
 Found four species comparison        mgwa        namj        apbo        mgcf     0.50000     0.50000     1.00000     0.50000  -259.71884  -265.27922  204
 Found four species comparison        mgwa        namj        apbo        mnal     0.60000     0.40000     1.20000     0.20000  -259.88230  -265.27922  205
 Found four species comparison        mgwa        namj        apbo        ky       0.75000     0.50000     0.25000     0.50000  -261.23361  -265.27922  206
 Found four species comparison        mgwa        namj        mgpv        ky       0.50000     0.50000     0.50000     0.50000  -261.07011  -265.27922  207
 Found four species comparison        mgwa        namj        mppv        ky       0.50000     0.50000     0.50000     0.50000  -259.85487  -265.27922  208
Found three species comparison        mgwa        qtz         anao     1.00000     3.00000     0.50000  -255.21199  -265.27922  209
Found three species comparison        mgwa        qtz         nacf     1.00000     2.00000     1.00000  -258.13136  -265.27922  210
Found three species comparison        mgwa        qtz         nnal     1.00000     2.00000     0.33333  -257.33305  -265.27922  211
Found three species comparison        mgwa        qtz         neph     1.00000     2.00000     1.00000  -255.38097  -265.27922  212
Found three species comparison        mgwa        coes        anao     1.00000     3.00000     0.50000  -257.07854  -265.27922  213
Found three species comparison        mgwa        coes        nacf     1.00000     2.00000     1.00000  -259.37572  -265.27922  214
Found three species comparison        mgwa        coes        nnal     1.00000     2.00000     0.33333  -258.57742  -265.27922  215
Found three species comparison        mgwa        coes        neph     1.00000     2.00000     1.00000  -256.62533  -265.27922  216
Found three species comparison        mgwa        st          anao     1.00000     3.00000     0.50000  -259.45354  -265.27922  217
Found three species comparison        mgwa        st          nacf     1.00000     2.00000     1.00000  -260.95906  -265.27922  218
Found three species comparison        mgwa        st          nnal     1.00000     2.00000     0.33333  -260.16076  -265.27922  219
Found three species comparison        mgwa        st          neph     1.00000     2.00000     1.00000  -258.20867  -265.27922  220
Found three species comparison        mgwa        apbo        anao     1.00000     3.00000     0.50000  -256.02120  -265.27922  221
Found three species comparison        mgwa        apbo        nacf     1.00000     2.00000     1.00000  -258.67084  -265.27922  222
Found three species comparison        mgwa        apbo        nnal     1.00000     2.00000     0.33333  -257.87253  -265.27922  223
Found three species comparison        mgwa        apbo        neph     1.00000     2.00000     1.00000  -255.92045  -265.27922  224
 Found four species comparison        mgri        en          namj        ky       0.50000     0.25000     0.50000     0.50000  -261.58466  -265.27922  225
 Found four species comparison        mgri        mgts        namj        qtz      0.50000     0.50000     0.50000     0.50000  -260.23556  -265.27922  226
 Found four species comparison        mgri        mgts        namj        coes     0.50000     0.50000     0.50000     0.50000  -260.54665  -265.27922  227
 Found four species comparison        mgri        mgts        namj        st       0.50000     0.50000     0.50000     0.50000  -260.94248  -265.27922  228
 Found four species comparison        mgri        mgts        namj        apbo     0.50000     0.50000     0.50000     0.50000  -260.37043  -265.27922  229
 Found four species comparison        mgri        cen         namj        ky       0.50000     0.25000     0.50000     0.50000  -261.46609  -265.27922  230
Found three species comparison        mgri        jd          qtz      1.00000     1.00000     1.00000  -262.26917  -265.27922  231
Found three species comparison        mgri        jd          coes     1.00000     1.00000     1.00000  -262.89136  -265.27922  232
Found three species comparison        mgri        jd          st       1.00000     1.00000     1.00000  -263.68303  -265.27922  233
Found three species comparison        mgri        jd          apbo     1.00000     1.00000     1.00000  -262.53891  -265.27922  234
 Found four species comparison        mgri        mgc2        namj        ky       0.50000     0.25000     0.50000     0.50000  -261.60650  -265.27922  235
 Found four species comparison        mgri        mgil        namj        ky       0.50000     0.50000     0.50000     0.50000  -261.25076  -265.27922  236
 Found four species comparison        mgri        co          namj        qtz      0.75000     0.50000     0.50000     0.75000  -260.16397  -265.27922  237
 Found four species comparison        mgri        co          namj        coes     0.75000     0.50000     0.50000     0.75000  -260.63060  -265.27922  238
 Found four species comparison        mgri        co          namj        st       0.75000     0.50000     0.50000     0.75000  -261.22436  -265.27922  239
 Found four species comparison        mgri        co          namj        apbo     0.75000     0.50000     0.50000     0.75000  -260.36627  -265.27922  240
 Found four species comparison        mgri        mgmj        namj        ky       0.50000     0.12500     0.50000     0.50000  -261.60094  -265.27922  241
 Found four species comparison        mgri        namj        qtz         alpv     0.75000     0.50000     0.75000     0.50000  -259.10908  -265.27922  242
 Found four species comparison        mgri        namj        qtz         appv     0.75000     0.50000     0.75000     0.50000  -255.71343  -265.27922  243
 Found four species comparison        mgri        namj        qtz         mgcf     0.50000     0.50000     1.00000     0.50000  -259.30572  -265.27922  244
 Found four species comparison        mgri        namj        qtz         mnal     0.60000     0.40000     1.20000     0.20000  -259.38655  -265.27922  245
 Found four species comparison        mgri        namj        qtz         ky       0.75000     0.50000     0.25000     0.50000  -260.95110  -265.27922  246
 Found four species comparison        mgri        namj        coes        alpv     0.75000     0.50000     0.75000     0.50000  -259.57571  -265.27922  247
 Found four species comparison        mgri        namj        coes        appv     0.75000     0.50000     0.75000     0.50000  -256.18007  -265.27922  248
 Found four species comparison        mgri        namj        coes        mgcf     0.50000     0.50000     1.00000     0.50000  -259.92790  -265.27922  249
 Found four species comparison        mgri        namj        coes        mnal     0.60000     0.40000     1.20000     0.20000  -260.13317  -265.27922  250
 Found four species comparison        mgri        namj        coes        ky       0.75000     0.50000     0.25000     0.50000  -261.10665  -265.27922  251
 Found four species comparison        mgri        namj        st          alpv     0.75000     0.50000     0.75000     0.50000  -260.16947  -265.27922  252
 Found four species comparison        mgri        namj        st          appv     0.75000     0.50000     0.75000     0.50000  -256.77382  -265.27922  253
 Found four species comparison        mgri        namj        st          mgcf     0.50000     0.50000     1.00000     0.50000  -260.71957  -265.27922  254
 Found four species comparison        mgri        namj        st          mnal     0.60000     0.40000     1.20000     0.20000  -261.08318  -265.27922  255
 Found four species comparison        mgri        namj        st          ky       0.75000     0.50000     0.25000     0.50000  -261.30456  -265.27922  256
 Found four species comparison        mgri        namj        apbo        alpv     0.75000     0.50000     0.75000     0.50000  -259.31138  -265.27922  257
 Found four species comparison        mgri        namj        apbo        appv     0.75000     0.50000     0.75000     0.50000  -255.91574  -265.27922  258
 Found four species comparison        mgri        namj        apbo        mgcf     0.50000     0.50000     1.00000     0.50000  -259.57546  -265.27922  259
 Found four species comparison        mgri        namj        apbo        mnal     0.60000     0.40000     1.20000     0.20000  -259.71024  -265.27922  260
 Found four species comparison        mgri        namj        apbo        ky       0.75000     0.50000     0.25000     0.50000  -261.01854  -265.27922  261
 Found four species comparison        mgri        namj        mgpv        ky       0.50000     0.50000     0.50000     0.50000  -260.92673  -265.27922  262
 Found four species comparison        mgri        namj        mppv        ky       0.50000     0.50000     0.50000     0.50000  -259.71149  -265.27922  263
Found three species comparison        mgri        qtz         anao     1.00000     3.00000     0.50000  -254.92522  -265.27922  264
Found three species comparison        mgri        qtz         nacf     1.00000     2.00000     1.00000  -257.84460  -265.27922  265
Found three species comparison        mgri        qtz         nnal     1.00000     2.00000     0.33333  -257.04629  -265.27922  266
Found three species comparison        mgri        qtz         neph     1.00000     2.00000     1.00000  -255.09420  -265.27922  267
Found three species comparison        mgri        coes        anao     1.00000     3.00000     0.50000  -256.79177  -265.27922  268
Found three species comparison        mgri        coes        nacf     1.00000     2.00000     1.00000  -259.08896  -265.27922  269
Found three species comparison        mgri        coes        nnal     1.00000     2.00000     0.33333  -258.29066  -265.27922  270
Found three species comparison        mgri        coes        neph     1.00000     2.00000     1.00000  -256.33857  -265.27922  271
Found three species comparison        mgri        st          anao     1.00000     3.00000     0.50000  -259.16678  -265.27922  272
Found three species comparison        mgri        st          nacf     1.00000     2.00000     1.00000  -260.67230  -265.27922  273
Found three species comparison        mgri        st          nnal     1.00000     2.00000     0.33333  -259.87400  -265.27922  274
Found three species comparison        mgri        st          neph     1.00000     2.00000     1.00000  -257.92191  -265.27922  275
Found three species comparison        mgri        apbo        anao     1.00000     3.00000     0.50000  -255.73444  -265.27922  276
Found three species comparison        mgri        apbo        nacf     1.00000     2.00000     1.00000  -258.38407  -265.27922  277
Found three species comparison        mgri        apbo        nnal     1.00000     2.00000     0.33333  -257.58577  -265.27922  278
Found three species comparison        mgri        apbo        neph     1.00000     2.00000     1.00000  -255.63368  -265.27922  279
Found three species comparison        en          mgts        namj     0.50000     0.50000     0.50000  -262.02798  -265.27922  280
  Found two species comparison        en          jd       1.00000     1.00000  -264.80340  -265.27922  281
Found three species comparison        en          co          namj     0.75000     0.50000     0.50000  -262.06464  -265.27922  282
 Found four species comparison        en          namj        qtz         mgcf     0.50000     0.50000     0.50000     0.50000  -260.57283  -265.27922  283
 Found four species comparison        en          namj        qtz         mnal     0.60000     0.40000     0.60000     0.20000  -260.90709  -265.27922  284
 Found four species comparison        en          namj        coes        mgcf     0.50000     0.50000     0.50000     0.50000  -260.88392  -265.27922  285
 Found four species comparison        en          namj        coes        mnal     0.60000     0.40000     0.60000     0.20000  -261.28040  -265.27922  286
 Found four species comparison        en          namj        st          mgcf     0.50000     0.50000     0.50000     0.50000  -261.27976  -265.27922  287
 Found four species comparison        en          namj        st          mnal     0.60000     0.40000     0.60000     0.20000  -261.75540  -265.27922  288
 Found four species comparison        en          namj        apbo        mgcf     0.50000     0.50000     0.50000     0.50000  -260.70770  -265.27922  289
 Found four species comparison        en          namj        apbo        mnal     0.60000     0.40000     0.60000     0.20000  -261.06893  -265.27922  290
Found three species comparison        en          namj        alpv     0.75000     0.50000     0.50000  -261.00975  -265.27922  291
Found three species comparison        en          namj        appv     0.75000     0.50000     0.50000  -257.61410  -265.27922  292
 Found four species comparison        en          namj        pe          ky       0.50000     0.50000     0.12500     0.50000  -261.50674  -265.27922  293
 Found four species comparison        en          namj        anao        ky       0.80000     0.40000     0.10000     0.40000  -261.77331  -265.27922  294
 Found four species comparison        en          namj        mgcf        ky       0.62500     0.50000     0.25000     0.25000  -261.71230  -265.27922  295
 Found four species comparison        en          namj        nacf        ky       0.83333     0.33333     0.33333     0.33333  -262.02745  -265.27922  296
 Found four species comparison        en          namj        mnal        ky       0.68182     0.45455     0.09091     0.27273  -261.96782  -265.27922  297
 Found four species comparison        en          namj        nnal        ky       0.83333     0.33333     0.11111     0.33333  -261.76135  -265.27922  298
 Found four species comparison        en          namj        ky          neph     0.83333     0.33333     0.33333     0.33333  -261.11066  -265.27922  299
Found three species comparison        en          qtz         anao     1.00000     2.00000     0.50000  -257.45945  -265.27922  300
Found three species comparison        en          qtz         nacf     1.00000     1.00000     1.00000  -260.37882  -265.27922  301
Found three species comparison        en          qtz         nnal     1.00000     1.00000     0.33333  -259.58052  -265.27922  302
Found three species comparison        en          qtz         neph     1.00000     1.00000     1.00000  -257.62843  -265.27922  303
Found three species comparison        en          coes        anao     1.00000     2.00000     0.50000  -258.70382  -265.27922  304
Found three species comparison        en          coes        nacf     1.00000     1.00000     1.00000  -261.00101  -265.27922  305
Found three species comparison        en          coes        nnal     1.00000     1.00000     0.33333  -260.20270  -265.27922  306
Found three species comparison        en          coes        neph     1.00000     1.00000     1.00000  -258.25062  -265.27922  307
Found three species comparison        en          st          anao     1.00000     2.00000     0.50000  -260.28716  -265.27922  308
Found three species comparison        en          st          nacf     1.00000     1.00000     1.00000  -261.79268  -265.27922  309
Found three species comparison        en          st          nnal     1.00000     1.00000     0.33333  -260.99437  -265.27922  310
Found three species comparison        en          st          neph     1.00000     1.00000     1.00000  -259.04229  -265.27922  311
Found three species comparison        en          apbo        anao     1.00000     2.00000     0.50000  -257.99893  -265.27922  312
Found three species comparison        en          apbo        nacf     1.00000     1.00000     1.00000  -260.64856  -265.27922  313
Found three species comparison        en          apbo        nnal     1.00000     1.00000     0.33333  -259.85026  -265.27922  314
Found three species comparison        en          apbo        neph     1.00000     1.00000     1.00000  -257.89817  -265.27922  315
Found three species comparison        mgts        cen         namj     0.50000     0.50000     0.50000  -261.26553  -265.27922  316
Found three species comparison        mgts        mgc2        namj     0.50000     0.50000     0.50000  -261.54636  -265.27922  317
Found three species comparison        mgts        mgil        namj     0.50000     1.00000     0.50000  -260.83489  -265.27922  318
Found three species comparison        mgts        mgmj        namj     0.50000     0.25000     0.50000  -261.47251  -265.27922  319
 Found four species comparison        mgts        namj        qtz         pe       0.50000     0.50000     1.00000     0.25000  -258.81261  -265.27922  320
 Found four species comparison        mgts        namj        coes        pe       0.50000     0.50000     1.00000     0.25000  -259.43479  -265.27922  321
 Found four species comparison        mgts        namj        st          pe       0.50000     0.50000     1.00000     0.25000  -260.22646  -265.27922  322
 Found four species comparison        mgts        namj        apbo        pe       0.50000     0.50000     1.00000     0.25000  -259.08235  -265.27922  323
Found three species comparison        mgts        namj        mgpv     0.50000     0.50000     1.00000  -260.18682  -265.27922  324
Found three species comparison        mgts        namj        mppv     0.50000     0.50000     1.00000  -257.75633  -265.27922  325
  Found two species comparison        cen         jd       1.00000     1.00000  -265.27922  -265.27922  326
Found three species comparison        cen         co          namj     0.75000     0.50000     0.50000  -261.70893  -265.27922  327
 Found four species comparison        cen         namj        qtz         mgcf     0.50000     0.50000     0.50000     0.50000  -260.33570  -265.27922  328
 Found four species comparison        cen         namj        qtz         mnal     0.60000     0.40000     0.60000     0.20000  -260.62252  -265.27922  329
 Found four species comparison        cen         namj        coes        mgcf     0.50000     0.50000     0.50000     0.50000  -260.64679  -265.27922  330
 Found four species comparison        cen         namj        coes        mnal     0.60000     0.40000     0.60000     0.20000  -260.99583  -265.27922  331
 Found four species comparison        cen         namj        st          mgcf     0.50000     0.50000     0.50000     0.50000  -261.04262  -265.27922  332
 Found four species comparison        cen         namj        st          mnal     0.60000     0.40000     0.60000     0.20000  -261.47084  -265.27922  333
 Found four species comparison        cen         namj        apbo        mgcf     0.50000     0.50000     0.50000     0.50000  -260.47057  -265.27922  334
 Found four species comparison        cen         namj        apbo        mnal     0.60000     0.40000     0.60000     0.20000  -260.78437  -265.27922  335
Found three species comparison        cen         namj        alpv     0.75000     0.50000     0.50000  -260.65404  -265.27922  336
Found three species comparison        cen         namj        appv     0.75000     0.50000     0.50000  -257.25840  -265.27922  337
 Found four species comparison        cen         namj        pe          ky       0.50000     0.50000     0.12500     0.50000  -261.26960  -265.27922  338
 Found four species comparison        cen         namj        anao        ky       0.80000     0.40000     0.10000     0.40000  -261.39389  -265.27922  339
 Found four species comparison        cen         namj        mgcf        ky       0.62500     0.50000     0.25000     0.25000  -261.41588  -265.27922  340
 Found four species comparison        cen         namj        nacf        ky       0.83333     0.33333     0.33333     0.33333  -261.63223  -265.27922  341
 Found four species comparison        cen         namj        mnal        ky       0.68182     0.45455     0.09091     0.27273  -261.64446  -265.27922  342
 Found four species comparison        cen         namj        nnal        ky       0.83333     0.33333     0.11111     0.33333  -261.36612  -265.27922  343
 Found four species comparison        cen         namj        ky          neph     0.83333     0.33333     0.33333     0.33333  -260.71543  -265.27922  344
Found three species comparison        cen         qtz         anao     1.00000     2.00000     0.50000  -256.98517  -265.27922  345
Found three species comparison        cen         qtz         nacf     1.00000     1.00000     1.00000  -259.90455  -265.27922  346
Found three species comparison        cen         qtz         nnal     1.00000     1.00000     0.33333  -259.10624  -265.27922  347
Found three species comparison        cen         qtz         neph     1.00000     1.00000     1.00000  -257.15416  -265.27922  348
Found three species comparison        cen         coes        anao     1.00000     2.00000     0.50000  -258.22954  -265.27922  349
Found three species comparison        cen         coes        nacf     1.00000     1.00000     1.00000  -260.52673  -265.27922  350
Found three species comparison        cen         coes        nnal     1.00000     1.00000     0.33333  -259.72843  -265.27922  351
Found three species comparison        cen         coes        neph     1.00000     1.00000     1.00000  -257.77634  -265.27922  352
Found three species comparison        cen         st          anao     1.00000     2.00000     0.50000  -259.81288  -265.27922  353
Found three species comparison        cen         st          nacf     1.00000     1.00000     1.00000  -261.31840  -265.27922  354
Found three species comparison        cen         st          nnal     1.00000     1.00000     0.33333  -260.52010  -265.27922  355
Found three species comparison        cen         st          neph     1.00000     1.00000     1.00000  -258.56801  -265.27922  356
Found three species comparison        cen         apbo        anao     1.00000     2.00000     0.50000  -257.52465  -265.27922  357
Found three species comparison        cen         apbo        nacf     1.00000     1.00000     1.00000  -260.17429  -265.27922  358
Found three species comparison        cen         apbo        nnal     1.00000     1.00000     0.33333  -259.37598  -265.27922  359
Found three species comparison        cen         apbo        neph     1.00000     1.00000     1.00000  -257.42390  -265.27922  360
  Found two species comparison        jd          mgc2     1.00000     1.00000  -264.89078  -265.27922  361
  Found two species comparison        jd          mgil     1.00000     2.00000  -263.46783  -265.27922  362
  Found two species comparison        jd          mgmj     1.00000     0.50000  -264.30517  -265.27922  363
Found three species comparison        jd          qtz         pe       1.00000     2.00000     0.50000  -259.42328  -265.27922  364
Found three species comparison        jd          coes        pe       1.00000     2.00000     0.50000  -260.66764  -265.27922  365
Found three species comparison        jd          st          pe       1.00000     2.00000     0.50000  -262.25098  -265.27922  366
Found three species comparison        jd          apbo        pe       1.00000     2.00000     0.50000  -259.96275  -265.27922  367
  Found two species comparison        jd          mgpv     1.00000     2.00000  -262.17169  -265.27922  368
  Found two species comparison        jd          mppv     1.00000     2.00000  -257.31073  -265.27922  369
Found three species comparison        mgc2        co          namj     0.75000     0.50000     0.50000  -262.13017  -265.27922  370
 Found four species comparison        mgc2        namj        qtz         mgcf     0.50000     0.50000     0.50000     0.50000  -260.61652  -265.27922  371
 Found four species comparison        mgc2        namj        qtz         mnal     0.60000     0.40000     0.60000     0.20000  -260.95952  -265.27922  372
 Found four species comparison        mgc2        namj        coes        mgcf     0.50000     0.50000     0.50000     0.50000  -260.92761  -265.27922  373
 Found four species comparison        mgc2        namj        coes        mnal     0.60000     0.40000     0.60000     0.20000  -261.33283  -265.27922  374
 Found four species comparison        mgc2        namj        st          mgcf     0.50000     0.50000     0.50000     0.50000  -261.32345  -265.27922  375
 Found four species comparison        mgc2        namj        st          mnal     0.60000     0.40000     0.60000     0.20000  -261.80783  -265.27922  376
 Found four species comparison        mgc2        namj        apbo        mgcf     0.50000     0.50000     0.50000     0.50000  -260.75139  -265.27922  377
 Found four species comparison        mgc2        namj        apbo        mnal     0.60000     0.40000     0.60000     0.20000  -261.12136  -265.27922  378
Found three species comparison        mgc2        namj        alpv     0.75000     0.50000     0.50000  -261.07528  -265.27922  379
Found three species comparison        mgc2        namj        appv     0.75000     0.50000     0.50000  -257.67964  -265.27922  380
 Found four species comparison        mgc2        namj        pe          ky       0.50000     0.50000     0.12500     0.50000  -261.55043  -265.27922  381
 Found four species comparison        mgc2        namj        anao        ky       0.80000     0.40000     0.10000     0.40000  -261.84321  -265.27922  382
 Found four species comparison        mgc2        namj        mgcf        ky       0.62500     0.50000     0.25000     0.25000  -261.76691  -265.27922  383
 Found four species comparison        mgc2        namj        nacf        ky       0.83333     0.33333     0.33333     0.33333  -262.10027  -265.27922  384
 Found four species comparison        mgc2        namj        mnal        ky       0.68182     0.45455     0.09091     0.27273  -262.02740  -265.27922  385
 Found four species comparison        mgc2        namj        nnal        ky       0.83333     0.33333     0.11111     0.33333  -261.83417  -265.27922  386
 Found four species comparison        mgc2        namj        ky          neph     0.83333     0.33333     0.33333     0.33333  -261.18348  -265.27922  387
Found three species comparison        mgc2        qtz         anao     1.00000     2.00000     0.50000  -257.54683  -265.27922  388
Found three species comparison        mgc2        qtz         nacf     1.00000     1.00000     1.00000  -260.46620  -265.27922  389
Found three species comparison        mgc2        qtz         nnal     1.00000     1.00000     0.33333  -259.66790  -265.27922  390
Found three species comparison        mgc2        qtz         neph     1.00000     1.00000     1.00000  -257.71581  -265.27922  391
Found three species comparison        mgc2        coes        anao     1.00000     2.00000     0.50000  -258.79120  -265.27922  392
Found three species comparison        mgc2        coes        nacf     1.00000     1.00000     1.00000  -261.08839  -265.27922  393
Found three species comparison        mgc2        coes        nnal     1.00000     1.00000     0.33333  -260.29008  -265.27922  394
Found three species comparison        mgc2        coes        neph     1.00000     1.00000     1.00000  -258.33800  -265.27922  395
Found three species comparison        mgc2        st          anao     1.00000     2.00000     0.50000  -260.37454  -265.27922  396
Found three species comparison        mgc2        st          nacf     1.00000     1.00000     1.00000  -261.88006  -265.27922  397
Found three species comparison        mgc2        st          nnal     1.00000     1.00000     0.33333  -261.08175  -265.27922  398
Found three species comparison        mgc2        st          neph     1.00000     1.00000     1.00000  -259.12967  -265.27922  399
Found three species comparison        mgc2        apbo        anao     1.00000     2.00000     0.50000  -258.08631  -265.27922  400
Found three species comparison        mgc2        apbo        nacf     1.00000     1.00000     1.00000  -260.73594  -265.27922  401
Found three species comparison        mgc2        apbo        nnal     1.00000     1.00000     0.33333  -259.93764  -265.27922  402
Found three species comparison        mgc2        apbo        neph     1.00000     1.00000     1.00000  -257.98555  -265.27922  403
Found three species comparison        mgil        co          namj     1.50000     0.50000     0.50000  -261.65486  -265.27922  404
 Found four species comparison        mgil        namj        qtz         mgcf     1.00000     0.50000     0.50000     0.50000  -259.90505  -265.27922  405
 Found four species comparison        mgil        namj        qtz         mnal     1.20000     0.40000     0.60000     0.20000  -260.10575  -265.27922  406
 Found four species comparison        mgil        namj        coes        mgcf     1.00000     0.50000     0.50000     0.50000  -260.21614  -265.27922  407
 Found four species comparison        mgil        namj        coes        mnal     1.20000     0.40000     0.60000     0.20000  -260.47906  -265.27922  408
 Found four species comparison        mgil        namj        st          mgcf     1.00000     0.50000     0.50000     0.50000  -260.61197  -265.27922  409
 Found four species comparison        mgil        namj        st          mnal     1.20000     0.40000     0.60000     0.20000  -260.95406  -265.27922  410
 Found four species comparison        mgil        namj        apbo        mgcf     1.00000     0.50000     0.50000     0.50000  -260.03992  -265.27922  411
 Found four species comparison        mgil        namj        apbo        mnal     1.20000     0.40000     0.60000     0.20000  -260.26759  -265.27922  412
Found three species comparison        mgil        namj        alpv     1.50000     0.50000     0.50000  -260.00807  -265.27922  413
Found three species comparison        mgil        namj        appv     1.50000     0.50000     0.50000  -256.61243  -265.27922  414
 Found four species comparison        mgil        namj        pe          ky       1.00000     0.50000     0.12500     0.50000  -260.83895  -265.27922  415
 Found four species comparison        mgil        namj        anao        ky       1.60000     0.40000     0.10000     0.40000  -260.70485  -265.27922  416
 Found four species comparison        mgil        namj        mgcf        ky       1.25000     0.50000     0.25000     0.25000  -260.87757  -265.27922  417
 Found four species comparison        mgil        namj        nacf        ky       1.66667     0.33333     0.33333     0.33333  -260.91448  -265.27922  418
 Found four species comparison        mgil        namj        mnal        ky       1.36364     0.45455     0.09091     0.27273  -261.05721  -265.27922  419
 Found four species comparison        mgil        namj        nnal        ky       1.66667     0.33333     0.11111     0.33333  -260.64838  -265.27922  420
 Found four species comparison        mgil        namj        ky          neph     1.66667     0.33333     0.33333     0.33333  -259.99768  -265.27922  421
Found three species comparison        mgil        qtz         anao     2.00000     2.00000     0.50000  -256.12388  -265.27922  422
Found three species comparison        mgil        qtz         nacf     2.00000     1.00000     1.00000  -259.04325  -265.27922  423
Found three species comparison        mgil        qtz         nnal     2.00000     1.00000     0.33333  -258.24495  -265.27922  424
Found three species comparison        mgil        qtz         neph     2.00000     1.00000     1.00000  -256.29286  -265.27922  425
Found three species comparison        mgil        coes        anao     2.00000     2.00000     0.50000  -257.36824  -265.27922  426
Found three species comparison        mgil        coes        nacf     2.00000     1.00000     1.00000  -259.66543  -265.27922  427
Found three species comparison        mgil        coes        nnal     2.00000     1.00000     0.33333  -258.86713  -265.27922  428
Found three species comparison        mgil        coes        neph     2.00000     1.00000     1.00000  -256.91504  -265.27922  429
Found three species comparison        mgil        st          anao     2.00000     2.00000     0.50000  -258.95158  -265.27922  430
Found three species comparison        mgil        st          nacf     2.00000     1.00000     1.00000  -260.45710  -265.27922  431
Found three species comparison        mgil        st          nnal     2.00000     1.00000     0.33333  -259.65880  -265.27922  432
Found three species comparison        mgil        st          neph     2.00000     1.00000     1.00000  -257.70671  -265.27922  433
Found three species comparison        mgil        apbo        anao     2.00000     2.00000     0.50000  -256.66336  -265.27922  434
Found three species comparison        mgil        apbo        nacf     2.00000     1.00000     1.00000  -259.31299  -265.27922  435
Found three species comparison        mgil        apbo        nnal     2.00000     1.00000     0.33333  -258.51469  -265.27922  436
Found three species comparison        mgil        apbo        neph     2.00000     1.00000     1.00000  -256.56260  -265.27922  437
Found three species comparison        co          mgmj        namj     0.50000     0.37500     0.50000  -261.98282  -265.27922  438
 Found four species comparison        co          namj        qtz         pe       0.50000     0.50000     1.50000     0.37500  -258.02954  -265.27922  439
 Found four species comparison        co          namj        coes        pe       0.50000     0.50000     1.50000     0.37500  -258.96282  -265.27922  440
 Found four species comparison        co          namj        st          pe       0.50000     0.50000     1.50000     0.37500  -260.15032  -265.27922  441
 Found four species comparison        co          namj        apbo        pe       0.50000     0.50000     1.50000     0.37500  -258.43415  -265.27922  442
Found three species comparison        co          namj        mgpv     0.50000     0.50000     1.50000  -260.09085  -265.27922  443
Found three species comparison        co          namj        mppv     0.50000     0.50000     1.50000  -256.44513  -265.27922  444
  Found two species comparison        py          namj     0.50000     0.50000  -265.27912  -265.27922  445
 Found four species comparison        mgmj        namj        qtz         mgcf     0.25000     0.50000     0.50000     0.50000  -260.54267  -265.27922  446
 Found four species comparison        mgmj        namj        qtz         mnal     0.30000     0.40000     0.60000     0.20000  -260.84164  -265.27922  447
 Found four species comparison        mgmj        namj        coes        mgcf     0.25000     0.50000     0.50000     0.50000  -260.85376  -265.27922  448
 Found four species comparison        mgmj        namj        coes        mnal     0.30000     0.40000     0.60000     0.20000  -261.21495  -265.27922  449
 Found four species comparison        mgmj        namj        st          mgcf     0.25000     0.50000     0.50000     0.50000  -261.24959  -265.27922  450
 Found four species comparison        mgmj        namj        st          mnal     0.30000     0.40000     0.60000     0.20000  -261.68995  -265.27922  451
 Found four species comparison        mgmj        namj        apbo        mgcf     0.25000     0.50000     0.50000     0.50000  -260.67754  -265.27922  452
 Found four species comparison        mgmj        namj        apbo        mnal     0.30000     0.40000     0.60000     0.20000  -261.00348  -265.27922  453
Found three species comparison        mgmj        namj        alpv     0.37500     0.50000     0.50000  -260.92793  -265.27922  454
Found three species comparison        mgmj        namj        appv     0.37500     0.50000     0.50000  -257.53229  -265.27922  455
 Found four species comparison        mgmj        namj        pe          ky       0.25000     0.50000     0.12500     0.50000  -261.47657  -265.27922  456
 Found four species comparison        mgmj        namj        anao        ky       0.40000     0.40000     0.10000     0.40000  -261.66505  -265.27922  457
 Found four species comparison        mgmj        namj        mgcf        ky       0.31250     0.50000     0.25000     0.25000  -261.65659  -265.27922  458
 Found four species comparison        mgmj        namj        nacf        ky       0.41667     0.33333     0.33333     0.33333  -261.90028  -265.27922  459
 Found four species comparison        mgmj        namj        mnal        ky       0.34091     0.45455     0.09091     0.27273  -261.89345  -265.27922  460
 Found four species comparison        mgmj        namj        nnal        ky       0.41667     0.33333     0.11111     0.33333  -261.63418  -265.27922  461
 Found four species comparison        mgmj        namj        ky          neph     0.41667     0.33333     0.33333     0.33333  -260.98349  -265.27922  462
Found three species comparison        mgmj        qtz         anao     0.50000     2.00000     0.50000  -256.96122  -265.27922  463
Found three species comparison        mgmj        qtz         nacf     0.50000     1.00000     1.00000  -259.88059  -265.27922  464
Found three species comparison        mgmj        qtz         nnal     0.50000     1.00000     0.33333  -259.08229  -265.27922  465
Found three species comparison        mgmj        qtz         neph     0.50000     1.00000     1.00000  -257.13020  -265.27922  466
Found three species comparison        mgmj        coes        anao     0.50000     2.00000     0.50000  -258.20558  -265.27922  467
Found three species comparison        mgmj        coes        nacf     0.50000     1.00000     1.00000  -260.50277  -265.27922  468
Found three species comparison        mgmj        coes        nnal     0.50000     1.00000     0.33333  -259.70447  -265.27922  469
Found three species comparison        mgmj        coes        neph     0.50000     1.00000     1.00000  -257.75238  -265.27922  470
Found three species comparison        mgmj        st          anao     0.50000     2.00000     0.50000  -259.78892  -265.27922  471
Found three species comparison        mgmj        st          nacf     0.50000     1.00000     1.00000  -261.29444  -265.27922  472
Found three species comparison        mgmj        st          nnal     0.50000     1.00000     0.33333  -260.49614  -265.27922  473
Found three species comparison        mgmj        st          neph     0.50000     1.00000     1.00000  -258.54405  -265.27922  474
Found three species comparison        mgmj        apbo        anao     0.50000     2.00000     0.50000  -257.50070  -265.27922  475
Found three species comparison        mgmj        apbo        nacf     0.50000     1.00000     1.00000  -260.15033  -265.27922  476
Found three species comparison        mgmj        apbo        nnal     0.50000     1.00000     0.33333  -259.35203  -265.27922  477
Found three species comparison        mgmj        apbo        neph     0.50000     1.00000     1.00000  -257.39994  -265.27922  478
 Found four species comparison        namj        qtz         mgpv        mgcf     0.50000     0.50000     1.00000     0.50000  -259.25698  -265.27922  479
 Found four species comparison        namj        qtz         mgpv        mnal     0.40000     0.60000     1.20000     0.20000  -259.32806  -265.27922  480
 Found four species comparison        namj        qtz         alpv        pe       0.50000     1.50000     0.50000     0.37500  -256.97465  -265.27922  481
 Found four species comparison        namj        qtz         mppv        mgcf     0.50000     0.50000     1.00000     0.50000  -256.82650  -265.27922  482
 Found four species comparison        namj        qtz         mppv        mnal     0.40000     0.60000     1.20000     0.20000  -256.41148  -265.27922  483
 Found four species comparison        namj        qtz         appv        pe       0.50000     1.50000     0.50000     0.37500  -253.57901  -265.27922  484
 Found four species comparison        namj        qtz         pe          mgcf     0.50000     1.50000     0.25000     0.50000  -257.88277  -265.27922  485
 Found four species comparison        namj        qtz         pe          mnal     0.40000     1.80000     0.30000     0.20000  -257.67901  -265.27922  486
 Found four species comparison        namj        qtz         pe          ky       0.50000     1.00000     0.37500     0.50000  -258.81668  -265.27922  487
 Found four species comparison        namj        coes        mgpv        mgcf     0.50000     0.50000     1.00000     0.50000  -259.56807  -265.27922  488
 Found four species comparison        namj        coes        mgpv        mnal     0.40000     0.60000     1.20000     0.20000  -259.70137  -265.27922  489
 Found four species comparison        namj        coes        alpv        pe       0.50000     1.50000     0.50000     0.37500  -257.90793  -265.27922  490
 Found four species comparison        namj        coes        mppv        mgcf     0.50000     0.50000     1.00000     0.50000  -257.13759  -265.27922  491
 Found four species comparison        namj        coes        mppv        mnal     0.40000     0.60000     1.20000     0.20000  -256.78479  -265.27922  492
 Found four species comparison        namj        coes        appv        pe       0.50000     1.50000     0.50000     0.37500  -254.51228  -265.27922  493
 Found four species comparison        namj        coes        pe          mgcf     0.50000     1.50000     0.25000     0.50000  -258.81604  -265.27922  494
 Found four species comparison        namj        coes        pe          mnal     0.40000     1.80000     0.30000     0.20000  -258.79894  -265.27922  495
 Found four species comparison        namj        coes        pe          ky       0.50000     1.00000     0.37500     0.50000  -259.43886  -265.27922  496
 Found four species comparison        namj        st          mgpv        mgcf     0.50000     0.50000     1.00000     0.50000  -259.96390  -265.27922  497
 Found four species comparison        namj        st          mgpv        mnal     0.40000     0.60000     1.20000     0.20000  -260.17637  -265.27922  498
 Found four species comparison        namj        st          alpv        pe       0.50000     1.50000     0.50000     0.37500  -259.09543  -265.27922  499
 Found four species comparison        namj        st          mppv        mgcf     0.50000     0.50000     1.00000     0.50000  -257.53342  -265.27922  500
 Found four species comparison        namj        st          mppv        mnal     0.40000     0.60000     1.20000     0.20000  -257.25980  -265.27922  501
 Found four species comparison        namj        st          appv        pe       0.50000     1.50000     0.50000     0.37500  -255.69979  -265.27922  502
 Found four species comparison        namj        st          pe          mgcf     0.50000     1.50000     0.25000     0.50000  -260.00355  -265.27922  503
 Found four species comparison        namj        st          pe          mnal     0.40000     1.80000     0.30000     0.20000  -260.22395  -265.27922  504
 Found four species comparison        namj        st          pe          ky       0.50000     1.00000     0.37500     0.50000  -260.23053  -265.27922  505
 Found four species comparison        namj        apbo        mgpv        mgcf     0.50000     0.50000     1.00000     0.50000  -259.39185  -265.27922  506
 Found four species comparison        namj        apbo        mgpv        mnal     0.40000     0.60000     1.20000     0.20000  -259.48990  -265.27922  507
 Found four species comparison        namj        apbo        alpv        pe       0.50000     1.50000     0.50000     0.37500  -257.37926  -265.27922  508
 Found four species comparison        namj        apbo        mppv        mgcf     0.50000     0.50000     1.00000     0.50000  -256.96136  -265.27922  509
 Found four species comparison        namj        apbo        mppv        mnal     0.40000     0.60000     1.20000     0.20000  -256.57333  -265.27922  510
 Found four species comparison        namj        apbo        appv        pe       0.50000     1.50000     0.50000     0.37500  -253.98362  -265.27922  511
 Found four species comparison        namj        apbo        pe          mgcf     0.50000     1.50000     0.25000     0.50000  -258.28738  -265.27922  512
 Found four species comparison        namj        apbo        pe          mnal     0.40000     1.80000     0.30000     0.20000  -258.16454  -265.27922  513
 Found four species comparison        namj        apbo        pe          ky       0.50000     1.00000     0.37500     0.50000  -259.08642  -265.27922  514
Found three species comparison        namj        mgpv        alpv     0.50000     1.50000     0.50000  -260.08478  -265.27922  515
Found three species comparison        namj        mgpv        appv     0.50000     1.50000     0.50000  -255.64032  -265.27922  516
 Found four species comparison        namj        mgpv        pe          ky       0.50000     1.00000     0.12500     0.50000  -260.19088  -265.27922  517
 Found four species comparison        namj        mgpv        anao        ky       0.40000     1.60000     0.10000     0.40000  -259.66794  -265.27922  518
 Found four species comparison        namj        mgpv        mgcf        ky       0.50000     1.25000     0.25000     0.25000  -260.06748  -265.27922  519
 Found four species comparison        namj        mgpv        nacf        ky       0.33333     1.66667     0.33333     0.33333  -259.83436  -265.27922  520
 Found four species comparison        namj        mgpv        mnal        ky       0.45455     1.36364     0.09091     0.27273  -260.17347  -265.27922  521
 Found four species comparison        namj        mgpv        nnal        ky       0.33333     1.66667     0.11111     0.33333  -259.56826  -265.27922  522
 Found four species comparison        namj        mgpv        ky          neph     0.33333     1.66667     0.33333     0.33333  -258.91756  -265.27922  523
Found three species comparison        namj        alpv        mppv     0.50000     0.50000     1.50000  -255.39024  -265.27922  524
Found three species comparison        namj        mppv        appv     0.50000     1.50000     0.50000  -253.04304  -265.27922  525
 Found four species comparison        namj        mppv        pe          ky       0.50000     1.00000     0.12500     0.50000  -257.76040  -265.27922  526
 Found four species comparison        namj        mppv        anao        ky       0.40000     1.60000     0.10000     0.40000  -255.77917  -265.27922  527
 Found four species comparison        namj        mppv        mgcf        ky       0.50000     1.25000     0.25000     0.25000  -257.02938  -265.27922  528
 Found four species comparison        namj        mppv        nacf        ky       0.33333     1.66667     0.33333     0.33333  -255.78356  -265.27922  529
 Found four species comparison        namj        mppv        mnal        ky       0.45455     1.36364     0.09091     0.27273  -256.85918  -265.27922  530
 Found four species comparison        namj        mppv        nnal        ky       0.33333     1.66667     0.11111     0.33333  -255.51746  -265.27922  531
 Found four species comparison        namj        mppv        ky          neph     0.33333     1.66667     0.33333     0.33333  -254.86676  -265.27922  532
Found three species comparison        qtz         mgpv        anao     2.00000     2.00000     0.50000  -254.82774  -265.27922  533
Found three species comparison        qtz         mgpv        nacf     1.00000     2.00000     1.00000  -257.74711  -265.27922  534
Found three species comparison        qtz         mgpv        nnal     1.00000     2.00000     0.33333  -256.94881  -265.27922  535
Found three species comparison        qtz         mgpv        neph     1.00000     2.00000     1.00000  -254.99672  -265.27922  536
Found three species comparison        qtz         mppv        anao     2.00000     2.00000     0.50000  -249.96677  -265.27922  537
Found three species comparison        qtz         mppv        nacf     1.00000     2.00000     1.00000  -252.88615  -265.27922  538
Found three species comparison        qtz         mppv        nnal     1.00000     2.00000     0.33333  -252.08784  -265.27922  539
Found three species comparison        qtz         mppv        neph     1.00000     2.00000     1.00000  -250.13576  -265.27922  540
Found three species comparison        qtz         pe          anao     4.00000     0.50000     0.50000  -252.68057  -265.27922  541
Found three species comparison        qtz         pe          nacf     3.00000     0.50000     1.00000  -254.99870  -265.27922  542
Found three species comparison        qtz         pe          nnal     3.00000     0.50000     0.33333  -254.20039  -265.27922  543
Found three species comparison        qtz         pe          neph     3.00000     0.50000     1.00000  -252.24831  -265.27922  544
Found three species comparison        coes        mgpv        anao     2.00000     2.00000     0.50000  -256.07210  -265.27922  545
Found three species comparison        coes        mgpv        nacf     1.00000     2.00000     1.00000  -258.36929  -265.27922  546
Found three species comparison        coes        mgpv        nnal     1.00000     2.00000     0.33333  -257.57099  -265.27922  547
Found three species comparison        coes        mgpv        neph     1.00000     2.00000     1.00000  -255.61890  -265.27922  548
Found three species comparison        coes        mppv        anao     2.00000     2.00000     0.50000  -251.21114  -265.27922  549
Found three species comparison        coes        mppv        nacf     1.00000     2.00000     1.00000  -253.50833  -265.27922  550
Found three species comparison        coes        mppv        nnal     1.00000     2.00000     0.33333  -252.71003  -265.27922  551
Found three species comparison        coes        mppv        neph     1.00000     2.00000     1.00000  -250.75794  -265.27922  552
Found three species comparison        coes        pe          anao     4.00000     0.50000     0.50000  -255.16930  -265.27922  553
Found three species comparison        coes        pe          nacf     3.00000     0.50000     1.00000  -256.86525  -265.27922  554
Found three species comparison        coes        pe          nnal     3.00000     0.50000     0.33333  -256.06694  -265.27922  555
Found three species comparison        coes        pe          neph     3.00000     0.50000     1.00000  -254.11486  -265.27922  556
Found three species comparison        st          mgpv        anao     2.00000     2.00000     0.50000  -257.65544  -265.27922  557
Found three species comparison        st          mgpv        nacf     1.00000     2.00000     1.00000  -259.16096  -265.27922  558
Found three species comparison        st          mgpv        nnal     1.00000     2.00000     0.33333  -258.36266  -265.27922  559
Found three species comparison        st          mgpv        neph     1.00000     2.00000     1.00000  -256.41057  -265.27922  560
Found three species comparison        st          mppv        anao     2.00000     2.00000     0.50000  -252.79448  -265.27922  561
Found three species comparison        st          mppv        nacf     1.00000     2.00000     1.00000  -254.30000  -265.27922  562
Found three species comparison        st          mppv        nnal     1.00000     2.00000     0.33333  -253.50170  -265.27922  563
Found three species comparison        st          mppv        neph     1.00000     2.00000     1.00000  -251.54961  -265.27922  564
Found three species comparison        st          pe          anao     4.00000     0.50000     0.50000  -258.33598  -265.27922  565
Found three species comparison        st          pe          nacf     3.00000     0.50000     1.00000  -259.24026  -265.27922  566
Found three species comparison        st          pe          nnal     3.00000     0.50000     0.33333  -258.44195  -265.27922  567
Found three species comparison        st          pe          neph     3.00000     0.50000     1.00000  -256.48986  -265.27922  568
Found three species comparison        apbo        mgpv        anao     2.00000     2.00000     0.50000  -255.36722  -265.27922  569
Found three species comparison        apbo        mgpv        nacf     1.00000     2.00000     1.00000  -258.01685  -265.27922  570
Found three species comparison        apbo        mgpv        nnal     1.00000     2.00000     0.33333  -257.21855  -265.27922  571
Found three species comparison        apbo        mgpv        neph     1.00000     2.00000     1.00000  -255.26646  -265.27922  572
Found three species comparison        apbo        mppv        anao     2.00000     2.00000     0.50000  -250.50625  -265.27922  573
Found three species comparison        apbo        mppv        nacf     1.00000     2.00000     1.00000  -253.15589  -265.27922  574
Found three species comparison        apbo        mppv        nnal     1.00000     2.00000     0.33333  -252.35758  -265.27922  575
Found three species comparison        apbo        mppv        neph     1.00000     2.00000     1.00000  -250.40550  -265.27922  576
Found three species comparison        apbo        pe          anao     4.00000     0.50000     0.50000  -253.75953  -265.27922  577
Found three species comparison        apbo        pe          nacf     3.00000     0.50000     1.00000  -255.80791  -265.27922  578
Found three species comparison        apbo        pe          nnal     3.00000     0.50000     0.33333  -255.00961  -265.27922  579
Found three species comparison        apbo        pe          neph     3.00000     0.50000     1.00000  -253.05752  -265.27922  580
 437 jdcen              4.00   2.00   0.00   0.00   1.00   1.00  12.00
Number of non-zero components,phases,Gapp    5    1      -296.60098        13.50000      2373.00000
 Found four species comparison        ab          sp          en          namj     0.33333     0.08333     0.66667     0.33333  -291.39729  -296.60098    1
 Found four species comparison        ab          sp          cen         namj     0.33333     0.08333     0.66667     0.33333  -291.09654  -296.60098    2
 Found four species comparison        ab          sp          mgc2        namj     0.33333     0.08333     0.66667     0.33333  -291.40071  -296.60098    3
 Found four species comparison        ab          sp          mgil        namj     0.33333     0.08333     1.33333     0.33333  -289.99219  -296.60098    4
 Found four species comparison        ab          sp          mgmj        namj     0.33333     0.08333     0.33333     0.33333  -291.55902  -296.60098    5
 Found four species comparison        ab          sp          namj        mgpv     0.33333     0.08333     0.33333     1.33333  -289.48762  -296.60098    6
 Found four species comparison        ab          sp          namj        mppv     0.33333     0.08333     0.33333     1.33333  -286.01585  -296.60098    7
  Found two species comparison        ab          fo       1.00000     1.00000  -288.42832  -296.60098    8
  Found two species comparison        ab          mgwa     1.00000     1.00000  -288.19955  -296.60098    9
  Found two species comparison        ab          mgri     1.00000     1.00000  -287.75804  -296.60098   10
 Found four species comparison        ab          en          namj        mgcf     0.33333     0.66667     0.33333     0.33333  -291.12369  -296.60098   11
 Found four species comparison        ab          en          namj        mnal     0.37500     0.75000     0.25000     0.12500  -291.29580  -296.60098   12
Found three species comparison        ab          en          pe       1.00000     0.50000     0.25000  -287.98312  -296.60098   13
Found three species comparison        ab          en          anao     0.66667     1.00000     0.16667  -289.85144  -296.60098   14
Found three species comparison        ab          en          nacf     0.50000     1.00000     0.50000  -291.33435  -296.60098   15
Found three species comparison        ab          en          nnal     0.50000     1.00000     0.16667  -290.54913  -296.60098   16
Found three species comparison        ab          en          neph     0.50000     1.00000     0.50000  -289.68772  -296.60098   17
 Found four species comparison        ab          cen         namj        mgcf     0.33333     0.66667     0.33333     0.33333  -290.82293  -296.60098   18
 Found four species comparison        ab          cen         namj        mnal     0.37500     0.75000     0.25000     0.12500  -290.95745  -296.60098   19
Found three species comparison        ab          cen         pe       1.00000     0.50000     0.25000  -287.75755  -296.60098   20
Found three species comparison        ab          cen         anao     0.66667     1.00000     0.16667  -289.40031  -296.60098   21
Found three species comparison        ab          cen         nacf     0.50000     1.00000     0.50000  -290.88321  -296.60098   22
Found three species comparison        ab          cen         nnal     0.50000     1.00000     0.16667  -290.09800  -296.60098   23
Found three species comparison        ab          cen         neph     0.50000     1.00000     0.50000  -289.23659  -296.60098   24
 Found four species comparison        ab          mgc2        namj        mgcf     0.33333     0.66667     0.33333     0.33333  -291.12711  -296.60098   25
 Found four species comparison        ab          mgc2        namj        mnal     0.37500     0.75000     0.25000     0.12500  -291.29964  -296.60098   26
Found three species comparison        ab          mgc2        pe       1.00000     0.50000     0.25000  -287.98568  -296.60098   27
Found three species comparison        ab          mgc2        anao     0.66667     1.00000     0.16667  -289.85657  -296.60098   28
Found three species comparison        ab          mgc2        nacf     0.50000     1.00000     0.50000  -291.33947  -296.60098   29
Found three species comparison        ab          mgc2        nnal     0.50000     1.00000     0.16667  -290.55426  -296.60098   30
Found three species comparison        ab          mgc2        neph     0.50000     1.00000     0.50000  -289.69285  -296.60098   31
 Found four species comparison        ab          mgil        namj        mgcf     0.33333     1.33333     0.33333     0.33333  -289.71859  -296.60098   32
 Found four species comparison        ab          mgil        namj        mnal     0.37500     1.50000     0.25000     0.12500  -289.71506  -296.60098   33
Found three species comparison        ab          mgil        pe       1.00000     1.00000     0.25000  -286.92929  -296.60098   34
Found three species comparison        ab          mgil        anao     0.66667     2.00000     0.16667  -287.74379  -296.60098   35
Found three species comparison        ab          mgil        nacf     0.50000     2.00000     0.50000  -289.22670  -296.60098   36
Found three species comparison        ab          mgil        nnal     0.50000     2.00000     0.16667  -288.44148  -296.60098   37
Found three species comparison        ab          mgil        neph     0.50000     2.00000     0.50000  -287.58007  -296.60098   38
 Found four species comparison        ab          mgmj        namj        mgcf     0.33333     0.33333     0.33333     0.33333  -291.28542  -296.60098   39
 Found four species comparison        ab          mgmj        namj        mnal     0.37500     0.37500     0.25000     0.12500  -291.40806  -296.60098   40
Found three species comparison        ab          mgmj        pe       1.00000     0.25000     0.25000  -287.73456  -296.60098   41
Found three species comparison        ab          mgmj        anao     0.66667     0.50000     0.16667  -289.35433  -296.60098   42
Found three species comparison        ab          mgmj        nacf     0.50000     0.50000     0.50000  -290.83724  -296.60098   43
Found three species comparison        ab          mgmj        nnal     0.50000     0.50000     0.16667  -290.05202  -296.60098   44
Found three species comparison        ab          mgmj        neph     0.50000     0.50000     0.50000  -289.19061  -296.60098   45
 Found four species comparison        ab          namj        mgpv        mgcf     0.33333     0.33333     1.33333     0.33333  -289.21401  -296.60098   46
 Found four species comparison        ab          namj        mgpv        mnal     0.37500     0.25000     1.50000     0.12500  -289.14741  -296.60098   47
 Found four species comparison        ab          namj        mppv        mgcf     0.33333     0.33333     1.33333     0.33333  -285.74225  -296.60098   48
 Found four species comparison        ab          namj        mppv        mnal     0.37500     0.25000     1.50000     0.12500  -285.24168  -296.60098   49
Found three species comparison        ab          qtz         pe       1.00000     1.00000     0.50000  -285.24684  -296.60098   50
Found three species comparison        ab          coes        pe       1.00000     1.00000     0.50000  -285.89588  -296.60098   51
Found three species comparison        ab          st          pe       1.00000     1.00000     0.50000  -286.30700  -296.60098   52
Found three species comparison        ab          apbo        pe       1.00000     1.00000     0.50000  -285.09836  -296.60098   53
Found three species comparison        ab          mgpv        pe       1.00000     1.00000     0.25000  -286.55086  -296.60098   54
Found three species comparison        ab          mgpv        anao     0.66667     2.00000     0.16667  -286.98693  -296.60098   55
Found three species comparison        ab          mgpv        nacf     0.50000     2.00000     0.50000  -288.46984  -296.60098   56
Found three species comparison        ab          mgpv        nnal     0.50000     2.00000     0.16667  -287.68462  -296.60098   57
Found three species comparison        ab          mgpv        neph     0.50000     2.00000     0.50000  -286.82321  -296.60098   58
Found three species comparison        ab          mppv        pe       1.00000     1.00000     0.25000  -283.94704  -296.60098   59
Found three species comparison        ab          mppv        anao     0.66667     2.00000     0.16667  -281.77928  -296.60098   60
Found three species comparison        ab          mppv        nacf     0.50000     2.00000     0.50000  -283.26219  -296.60098   61
Found three species comparison        ab          mppv        nnal     0.50000     2.00000     0.16667  -282.47697  -296.60098   62
Found three species comparison        ab          mppv        neph     0.50000     2.00000     0.50000  -281.61556  -296.60098   63
 Found four species comparison        sp          fo          namj        qtz      0.12500     0.50000     0.50000     1.00000  -290.59071  -296.60098   64
 Found four species comparison        sp          fo          namj        coes     0.12500     0.50000     0.50000     1.00000  -291.23975  -296.60098   65
 Found four species comparison        sp          fo          namj        st       0.12500     0.50000     0.50000     1.00000  -291.65087  -296.60098   66
 Found four species comparison        sp          fo          namj        apbo     0.12500     0.50000     0.50000     1.00000  -290.44223  -296.60098   67
 Found four species comparison        sp          mgwa        namj        qtz      0.12500     0.50000     0.50000     1.00000  -290.47632  -296.60098   68
 Found four species comparison        sp          mgwa        namj        coes     0.12500     0.50000     0.50000     1.00000  -291.12536  -296.60098   69
 Found four species comparison        sp          mgwa        namj        st       0.12500     0.50000     0.50000     1.00000  -291.53648  -296.60098   70
 Found four species comparison        sp          mgwa        namj        apbo     0.12500     0.50000     0.50000     1.00000  -290.32784  -296.60098   71
 Found four species comparison        sp          mgri        namj        qtz      0.12500     0.50000     0.50000     1.00000  -290.25557  -296.60098   72
 Found four species comparison        sp          mgri        namj        coes     0.12500     0.50000     0.50000     1.00000  -290.90461  -296.60098   73
 Found four species comparison        sp          mgri        namj        st       0.12500     0.50000     0.50000     1.00000  -291.31572  -296.60098   74
 Found four species comparison        sp          mgri        namj        apbo     0.12500     0.50000     0.50000     1.00000  -290.10709  -296.60098   75
 Found four species comparison        sp          en          namj        qtz      0.12500     0.50000     0.50000     0.50000  -291.73624  -296.60098   76
 Found four species comparison        sp          en          namj        coes     0.12500     0.50000     0.50000     0.50000  -292.06076  -296.60098   77
 Found four species comparison        sp          en          namj        st       0.12500     0.50000     0.50000     0.50000  -292.26632  -296.60098   78
 Found four species comparison        sp          en          namj        apbo     0.12500     0.50000     0.50000     0.50000  -291.66200  -296.60098   79
 Found four species comparison        sp          en          namj        ky       0.06250     0.62500     0.50000     0.25000  -292.53669  -296.60098   80
 Found four species comparison        sp          cen         namj        qtz      0.12500     0.50000     0.50000     0.50000  -291.51068  -296.60098   81
 Found four species comparison        sp          cen         namj        coes     0.12500     0.50000     0.50000     0.50000  -291.83520  -296.60098   82
 Found four species comparison        sp          cen         namj        st       0.12500     0.50000     0.50000     0.50000  -292.04076  -296.60098   83
 Found four species comparison        sp          cen         namj        apbo     0.12500     0.50000     0.50000     0.50000  -291.43644  -296.60098   84
 Found four species comparison        sp          cen         namj        ky       0.06250     0.62500     0.50000     0.25000  -292.25473  -296.60098   85
 Found four species comparison        sp          mgc2        namj        qtz      0.12500     0.50000     0.50000     0.50000  -291.73881  -296.60098   86
 Found four species comparison        sp          mgc2        namj        coes     0.12500     0.50000     0.50000     0.50000  -292.06333  -296.60098   87
 Found four species comparison        sp          mgc2        namj        st       0.12500     0.50000     0.50000     0.50000  -292.26889  -296.60098   88
 Found four species comparison        sp          mgc2        namj        apbo     0.12500     0.50000     0.50000     0.50000  -291.66457  -296.60098   89
 Found four species comparison        sp          mgc2        namj        ky       0.06250     0.62500     0.50000     0.25000  -292.53989  -296.60098   90
 Found four species comparison        sp          mgil        namj        qtz      0.12500     1.00000     0.50000     0.50000  -290.68242  -296.60098   91
 Found four species comparison        sp          mgil        namj        coes     0.12500     1.00000     0.50000     0.50000  -291.00694  -296.60098   92
 Found four species comparison        sp          mgil        namj        st       0.12500     1.00000     0.50000     0.50000  -291.21250  -296.60098   93
 Found four species comparison        sp          mgil        namj        apbo     0.12500     1.00000     0.50000     0.50000  -290.60818  -296.60098   94
 Found four species comparison        sp          mgil        namj        ky       0.06250     1.25000     0.50000     0.25000  -291.21941  -296.60098   95
 Found four species comparison        sp          mgmj        namj        qtz      0.12500     0.25000     0.50000     0.50000  -291.95090  -296.60098   96
 Found four species comparison        sp          mgmj        namj        coes     0.12500     0.25000     0.50000     0.50000  -292.27542  -296.60098   97
 Found four species comparison        sp          mgmj        namj        st       0.12500     0.25000     0.50000     0.50000  -292.48098  -296.60098   98
 Found four species comparison        sp          mgmj        namj        apbo     0.12500     0.25000     0.50000     0.50000  -291.87666  -296.60098   99
 Found four species comparison        sp          mgmj        namj        ky       0.06250     0.31250     0.50000     0.25000  -292.76444  -296.60098  100
 Found four species comparison        sp          namj        qtz         mgpv     0.12500     0.50000     0.50000     1.00000  -290.30399  -296.60098  101
 Found four species comparison        sp          namj        qtz         mppv     0.12500     0.50000     0.50000     1.00000  -287.70016  -296.60098  102
 Found four species comparison        sp          namj        qtz         pe       0.12500     0.50000     1.50000     0.25000  -288.99997  -296.60098  103
 Found four species comparison        sp          namj        coes        mgpv     0.12500     0.50000     0.50000     1.00000  -290.62851  -296.60098  104
 Found four species comparison        sp          namj        coes        mppv     0.12500     0.50000     0.50000     1.00000  -288.02468  -296.60098  105
 Found four species comparison        sp          namj        coes        pe       0.12500     0.50000     1.50000     0.25000  -289.97353  -296.60098  106
 Found four species comparison        sp          namj        st          mgpv     0.12500     0.50000     0.50000     1.00000  -290.83407  -296.60098  107
 Found four species comparison        sp          namj        st          mppv     0.12500     0.50000     0.50000     1.00000  -288.23024  -296.60098  108
 Found four species comparison        sp          namj        st          pe       0.12500     0.50000     1.50000     0.25000  -290.59020  -296.60098  109
 Found four species comparison        sp          namj        apbo        mgpv     0.12500     0.50000     0.50000     1.00000  -290.22975  -296.60098  110
 Found four species comparison        sp          namj        apbo        mppv     0.12500     0.50000     0.50000     1.00000  -287.62593  -296.60098  111
 Found four species comparison        sp          namj        apbo        pe       0.12500     0.50000     1.50000     0.25000  -288.77725  -296.60098  112
 Found four species comparison        sp          namj        mgpv        ky       0.06250     0.50000     1.25000     0.25000  -290.74637  -296.60098  113
 Found four species comparison        sp          namj        mppv        ky       0.06250     0.50000     1.25000     0.25000  -287.49159  -296.60098  114
 Found four species comparison        fo          en          namj        ky       0.50000     0.25000     0.50000     0.50000  -292.19160  -296.60098  115
 Found four species comparison        fo          mgts        namj        qtz      0.50000     0.50000     0.50000     0.50000  -291.26359  -296.60098  116
 Found four species comparison        fo          mgts        namj        coes     0.50000     0.50000     0.50000     0.50000  -291.58811  -296.60098  117
 Found four species comparison        fo          mgts        namj        st       0.50000     0.50000     0.50000     0.50000  -291.79367  -296.60098  118
 Found four species comparison        fo          mgts        namj        apbo     0.50000     0.50000     0.50000     0.50000  -291.18935  -296.60098  119
 Found four species comparison        fo          cen         namj        ky       0.50000     0.25000     0.50000     0.50000  -292.07882  -296.60098  120
Found three species comparison        fo          jd          qtz      1.00000     1.00000     1.00000  -293.17700  -296.60098  121
Found three species comparison        fo          jd          coes     1.00000     1.00000     1.00000  -293.82604  -296.60098  122
Found three species comparison        fo          jd          st       1.00000     1.00000     1.00000  -294.23716  -296.60098  123
Found three species comparison        fo          jd          apbo     1.00000     1.00000     1.00000  -293.02852  -296.60098  124
 Found four species comparison        fo          mgc2        namj        ky       0.50000     0.25000     0.50000     0.50000  -292.19288  -296.60098  125
 Found four species comparison        fo          mgil        namj        ky       0.50000     0.50000     0.50000     0.50000  -291.66469  -296.60098  126
 Found four species comparison        fo          co          namj        qtz      0.75000     0.50000     0.50000     0.75000  -290.94940  -296.60098  127
 Found four species comparison        fo          co          namj        coes     0.75000     0.50000     0.50000     0.75000  -291.43619  -296.60098  128
 Found four species comparison        fo          co          namj        st       0.75000     0.50000     0.50000     0.75000  -291.74452  -296.60098  129
 Found four species comparison        fo          co          namj        apbo     0.75000     0.50000     0.50000     0.75000  -290.83805  -296.60098  130
 Found four species comparison        fo          mgmj        namj        ky       0.50000     0.12500     0.50000     0.50000  -292.35757  -296.60098  131
 Found four species comparison        fo          namj        qtz         alpv     0.75000     0.50000     0.75000     0.50000  -290.05518  -296.60098  132
 Found four species comparison        fo          namj        qtz         appv     0.75000     0.50000     0.75000     0.50000  -287.00959  -296.60098  133
 Found four species comparison        fo          namj        qtz         mgcf     0.50000     0.50000     1.00000     0.50000  -290.18030  -296.60098  134
 Found four species comparison        fo          namj        qtz         mnal     0.60000     0.40000     1.20000     0.20000  -290.26699  -296.60098  135
 Found four species comparison        fo          namj        qtz         ky       0.75000     0.50000     0.25000     0.50000  -291.61883  -296.60098  136
 Found four species comparison        fo          namj        coes        alpv     0.75000     0.50000     0.75000     0.50000  -290.54196  -296.60098  137
 Found four species comparison        fo          namj        coes        appv     0.75000     0.50000     0.75000     0.50000  -287.49637  -296.60098  138
 Found four species comparison        fo          namj        coes        mgcf     0.50000     0.50000     1.00000     0.50000  -290.82934  -296.60098  139
 Found four species comparison        fo          namj        coes        mnal     0.60000     0.40000     1.20000     0.20000  -291.04584  -296.60098  140
 Found four species comparison        fo          namj        coes        ky       0.75000     0.50000     0.25000     0.50000  -291.78109  -296.60098  141
 Found four species comparison        fo          namj        st          alpv     0.75000     0.50000     0.75000     0.50000  -290.85029  -296.60098  142
 Found four species comparison        fo          namj        st          appv     0.75000     0.50000     0.75000     0.50000  -287.80471  -296.60098  143
 Found four species comparison        fo          namj        st          mgcf     0.50000     0.50000     1.00000     0.50000  -291.24046  -296.60098  144
 Found four species comparison        fo          namj        st          mnal     0.60000     0.40000     1.20000     0.20000  -291.53918  -296.60098  145
 Found four species comparison        fo          namj        st          ky       0.75000     0.50000     0.25000     0.50000  -291.88387  -296.60098  146
 Found four species comparison        fo          namj        apbo        alpv     0.75000     0.50000     0.75000     0.50000  -289.94382  -296.60098  147
 Found four species comparison        fo          namj        apbo        appv     0.75000     0.50000     0.75000     0.50000  -286.89824  -296.60098  148
 Found four species comparison        fo          namj        apbo        mgcf     0.50000     0.50000     1.00000     0.50000  -290.03182  -296.60098  149
 Found four species comparison        fo          namj        apbo        mnal     0.60000     0.40000     1.20000     0.20000  -290.08882  -296.60098  150
 Found four species comparison        fo          namj        apbo        ky       0.75000     0.50000     0.25000     0.50000  -291.58171  -296.60098  151
 Found four species comparison        fo          namj        mgpv        ky       0.50000     0.50000     0.50000     0.50000  -291.47547  -296.60098  152
 Found four species comparison        fo          namj        mppv        ky       0.50000     0.50000     0.50000     0.50000  -290.17356  -296.60098  153
Found three species comparison        fo          qtz         anao     1.00000     3.00000     0.50000  -285.82446  -296.60098  154
Found three species comparison        fo          qtz         nacf     1.00000     2.00000     1.00000  -289.65823  -296.60098  155
Found three species comparison        fo          qtz         nnal     1.00000     2.00000     0.33333  -288.08780  -296.60098  156
Found three species comparison        fo          qtz         neph     1.00000     2.00000     1.00000  -286.36498  -296.60098  157
Found three species comparison        fo          coes        anao     1.00000     3.00000     0.50000  -287.77158  -296.60098  158
Found three species comparison        fo          coes        nacf     1.00000     2.00000     1.00000  -290.95631  -296.60098  159
Found three species comparison        fo          coes        nnal     1.00000     2.00000     0.33333  -289.38588  -296.60098  160
Found three species comparison        fo          coes        neph     1.00000     2.00000     1.00000  -287.66306  -296.60098  161
Found three species comparison        fo          st          anao     1.00000     3.00000     0.50000  -289.00494  -296.60098  162
Found three species comparison        fo          st          nacf     1.00000     2.00000     1.00000  -291.77854  -296.60098  163
Found three species comparison        fo          st          nnal     1.00000     2.00000     0.33333  -290.20812  -296.60098  164
Found three species comparison        fo          st          neph     1.00000     2.00000     1.00000  -288.48530  -296.60098  165
Found three species comparison        fo          apbo        anao     1.00000     3.00000     0.50000  -285.37903  -296.60098  166
Found three species comparison        fo          apbo        nacf     1.00000     2.00000     1.00000  -289.36127  -296.60098  167
Found three species comparison        fo          apbo        nnal     1.00000     2.00000     0.33333  -287.79085  -296.60098  168
Found three species comparison        fo          apbo        neph     1.00000     2.00000     1.00000  -286.06803  -296.60098  169
 Found four species comparison        mgwa        en          namj        ky       0.50000     0.25000     0.50000     0.50000  -292.07721  -296.60098  170
 Found four species comparison        mgwa        mgts        namj        qtz      0.50000     0.50000     0.50000     0.50000  -291.14920  -296.60098  171
 Found four species comparison        mgwa        mgts        namj        coes     0.50000     0.50000     0.50000     0.50000  -291.47372  -296.60098  172
 Found four species comparison        mgwa        mgts        namj        st       0.50000     0.50000     0.50000     0.50000  -291.67928  -296.60098  173
 Found four species comparison        mgwa        mgts        namj        apbo     0.50000     0.50000     0.50000     0.50000  -291.07497  -296.60098  174
 Found four species comparison        mgwa        cen         namj        ky       0.50000     0.25000     0.50000     0.50000  -291.96443  -296.60098  175
Found three species comparison        mgwa        jd          qtz      1.00000     1.00000     1.00000  -292.94823  -296.60098  176
Found three species comparison        mgwa        jd          coes     1.00000     1.00000     1.00000  -293.59727  -296.60098  177
Found three species comparison        mgwa        jd          st       1.00000     1.00000     1.00000  -294.00839  -296.60098  178
Found three species comparison        mgwa        jd          apbo     1.00000     1.00000     1.00000  -292.79975  -296.60098  179
 Found four species comparison        mgwa        mgc2        namj        ky       0.50000     0.25000     0.50000     0.50000  -292.07849  -296.60098  180
 Found four species comparison        mgwa        mgil        namj        ky       0.50000     0.50000     0.50000     0.50000  -291.55030  -296.60098  181
 Found four species comparison        mgwa        co          namj        qtz      0.75000     0.50000     0.50000     0.75000  -290.77783  -296.60098  182
 Found four species comparison        mgwa        co          namj        coes     0.75000     0.50000     0.50000     0.75000  -291.26461  -296.60098  183
 Found four species comparison        mgwa        co          namj        st       0.75000     0.50000     0.50000     0.75000  -291.57294  -296.60098  184
 Found four species comparison        mgwa        co          namj        apbo     0.75000     0.50000     0.50000     0.75000  -290.66647  -296.60098  185
 Found four species comparison        mgwa        mgmj        namj        ky       0.50000     0.12500     0.50000     0.50000  -292.24319  -296.60098  186
 Found four species comparison        mgwa        namj        qtz         alpv     0.75000     0.50000     0.75000     0.50000  -289.88360  -296.60098  187
 Found four species comparison        mgwa        namj        qtz         appv     0.75000     0.50000     0.75000     0.50000  -286.83801  -296.60098  188
 Found four species comparison        mgwa        namj        qtz         mgcf     0.50000     0.50000     1.00000     0.50000  -290.06591  -296.60098  189
 Found four species comparison        mgwa        namj        qtz         mnal     0.60000     0.40000     1.20000     0.20000  -290.12973  -296.60098  190
 Found four species comparison        mgwa        namj        qtz         ky       0.75000     0.50000     0.25000     0.50000  -291.44725  -296.60098  191
 Found four species comparison        mgwa        namj        coes        alpv     0.75000     0.50000     0.75000     0.50000  -290.37038  -296.60098  192
 Found four species comparison        mgwa        namj        coes        appv     0.75000     0.50000     0.75000     0.50000  -287.32479  -296.60098  193
 Found four species comparison        mgwa        namj        coes        mgcf     0.50000     0.50000     1.00000     0.50000  -290.71495  -296.60098  194
 Found four species comparison        mgwa        namj        coes        mnal     0.60000     0.40000     1.20000     0.20000  -290.90858  -296.60098  195
 Found four species comparison        mgwa        namj        coes        ky       0.75000     0.50000     0.25000     0.50000  -291.60951  -296.60098  196
 Found four species comparison        mgwa        namj        st          alpv     0.75000     0.50000     0.75000     0.50000  -290.67871  -296.60098  197
 Found four species comparison        mgwa        namj        st          appv     0.75000     0.50000     0.75000     0.50000  -287.63313  -296.60098  198
 Found four species comparison        mgwa        namj        st          mgcf     0.50000     0.50000     1.00000     0.50000  -291.12607  -296.60098  199
 Found four species comparison        mgwa        namj        st          mnal     0.60000     0.40000     1.20000     0.20000  -291.40192  -296.60098  200
 Found four species comparison        mgwa        namj        st          ky       0.75000     0.50000     0.25000     0.50000  -291.71229  -296.60098  201
 Found four species comparison        mgwa        namj        apbo        alpv     0.75000     0.50000     0.75000     0.50000  -289.77224  -296.60098  202
 Found four species comparison        mgwa        namj        apbo        appv     0.75000     0.50000     0.75000     0.50000  -286.72666  -296.60098  203
 Found four species comparison        mgwa        namj        apbo        mgcf     0.50000     0.50000     1.00000     0.50000  -289.91744  -296.60098  204
 Found four species comparison        mgwa        namj        apbo        mnal     0.60000     0.40000     1.20000     0.20000  -289.95156  -296.60098  205
 Found four species comparison        mgwa        namj        apbo        ky       0.75000     0.50000     0.25000     0.50000  -291.41013  -296.60098  206
 Found four species comparison        mgwa        namj        mgpv        ky       0.50000     0.50000     0.50000     0.50000  -291.36109  -296.60098  207
 Found four species comparison        mgwa        namj        mppv        ky       0.50000     0.50000     0.50000     0.50000  -290.05917  -296.60098  208
Found three species comparison        mgwa        qtz         anao     1.00000     3.00000     0.50000  -285.59569  -296.60098  209
Found three species comparison        mgwa        qtz         nacf     1.00000     2.00000     1.00000  -289.42945  -296.60098  210
Found three species comparison        mgwa        qtz         nnal     1.00000     2.00000     0.33333  -287.85903  -296.60098  211
Found three species comparison        mgwa        qtz         neph     1.00000     2.00000     1.00000  -286.13620  -296.60098  212
Found three species comparison        mgwa        coes        anao     1.00000     3.00000     0.50000  -287.54281  -296.60098  213
Found three species comparison        mgwa        coes        nacf     1.00000     2.00000     1.00000  -290.72753  -296.60098  214
Found three species comparison        mgwa        coes        nnal     1.00000     2.00000     0.33333  -289.15711  -296.60098  215
Found three species comparison        mgwa        coes        neph     1.00000     2.00000     1.00000  -287.43429  -296.60098  216
Found three species comparison        mgwa        st          anao     1.00000     3.00000     0.50000  -288.77616  -296.60098  217
Found three species comparison        mgwa        st          nacf     1.00000     2.00000     1.00000  -291.54977  -296.60098  218
Found three species comparison        mgwa        st          nnal     1.00000     2.00000     0.33333  -289.97934  -296.60098  219
Found three species comparison        mgwa        st          neph     1.00000     2.00000     1.00000  -288.25652  -296.60098  220
Found three species comparison        mgwa        apbo        anao     1.00000     3.00000     0.50000  -285.15026  -296.60098  221
Found three species comparison        mgwa        apbo        nacf     1.00000     2.00000     1.00000  -289.13250  -296.60098  222
Found three species comparison        mgwa        apbo        nnal     1.00000     2.00000     0.33333  -287.56207  -296.60098  223
Found three species comparison        mgwa        apbo        neph     1.00000     2.00000     1.00000  -285.83925  -296.60098  224
 Found four species comparison        mgri        en          namj        ky       0.50000     0.25000     0.50000     0.50000  -291.85646  -296.60098  225
 Found four species comparison        mgri        mgts        namj        qtz      0.50000     0.50000     0.50000     0.50000  -290.92845  -296.60098  226
 Found four species comparison        mgri        mgts        namj        coes     0.50000     0.50000     0.50000     0.50000  -291.25297  -296.60098  227
 Found four species comparison        mgri        mgts        namj        st       0.50000     0.50000     0.50000     0.50000  -291.45853  -296.60098  228
 Found four species comparison        mgri        mgts        namj        apbo     0.50000     0.50000     0.50000     0.50000  -290.85421  -296.60098  229
 Found four species comparison        mgri        cen         namj        ky       0.50000     0.25000     0.50000     0.50000  -291.74367  -296.60098  230
Found three species comparison        mgri        jd          qtz      1.00000     1.00000     1.00000  -292.50672  -296.60098  231
Found three species comparison        mgri        jd          coes     1.00000     1.00000     1.00000  -293.15576  -296.60098  232
Found three species comparison        mgri        jd          st       1.00000     1.00000     1.00000  -293.56688  -296.60098  233
Found three species comparison        mgri        jd          apbo     1.00000     1.00000     1.00000  -292.35824  -296.60098  234
 Found four species comparison        mgri        mgc2        namj        ky       0.50000     0.25000     0.50000     0.50000  -291.85774  -296.60098  235
 Found four species comparison        mgri        mgil        namj        ky       0.50000     0.50000     0.50000     0.50000  -291.32955  -296.60098  236
 Found four species comparison        mgri        co          namj        qtz      0.75000     0.50000     0.50000     0.75000  -290.44669  -296.60098  237
 Found four species comparison        mgri        co          namj        coes     0.75000     0.50000     0.50000     0.75000  -290.93347  -296.60098  238
 Found four species comparison        mgri        co          namj        st       0.75000     0.50000     0.50000     0.75000  -291.24181  -296.60098  239
 Found four species comparison        mgri        co          namj        apbo     0.75000     0.50000     0.50000     0.75000  -290.33534  -296.60098  240
 Found four species comparison        mgri        mgmj        namj        ky       0.50000     0.12500     0.50000     0.50000  -292.02243  -296.60098  241
 Found four species comparison        mgri        namj        qtz         alpv     0.75000     0.50000     0.75000     0.50000  -289.55246  -296.60098  242
 Found four species comparison        mgri        namj        qtz         appv     0.75000     0.50000     0.75000     0.50000  -286.50688  -296.60098  243
 Found four species comparison        mgri        namj        qtz         mgcf     0.50000     0.50000     1.00000     0.50000  -289.84516  -296.60098  244
 Found four species comparison        mgri        namj        qtz         mnal     0.60000     0.40000     1.20000     0.20000  -289.86482  -296.60098  245
 Found four species comparison        mgri        namj        qtz         ky       0.75000     0.50000     0.25000     0.50000  -291.11612  -296.60098  246
 Found four species comparison        mgri        namj        coes        alpv     0.75000     0.50000     0.75000     0.50000  -290.03924  -296.60098  247
 Found four species comparison        mgri        namj        coes        appv     0.75000     0.50000     0.75000     0.50000  -286.99366  -296.60098  248
 Found four species comparison        mgri        namj        coes        mgcf     0.50000     0.50000     1.00000     0.50000  -290.49420  -296.60098  249
 Found four species comparison        mgri        namj        coes        mnal     0.60000     0.40000     1.20000     0.20000  -290.64367  -296.60098  250
 Found four species comparison        mgri        namj        coes        ky       0.75000     0.50000     0.25000     0.50000  -291.27838  -296.60098  251
 Found four species comparison        mgri        namj        st          alpv     0.75000     0.50000     0.75000     0.50000  -290.34758  -296.60098  252
 Found four species comparison        mgri        namj        st          appv     0.75000     0.50000     0.75000     0.50000  -287.30200  -296.60098  253
 Found four species comparison        mgri        namj        st          mgcf     0.50000     0.50000     1.00000     0.50000  -290.90532  -296.60098  254
 Found four species comparison        mgri        namj        st          mnal     0.60000     0.40000     1.20000     0.20000  -291.13701  -296.60098  255
 Found four species comparison        mgri        namj        st          ky       0.75000     0.50000     0.25000     0.50000  -291.38116  -296.60098  256
 Found four species comparison        mgri        namj        apbo        alpv     0.75000     0.50000     0.75000     0.50000  -289.44111  -296.60098  257
 Found four species comparison        mgri        namj        apbo        appv     0.75000     0.50000     0.75000     0.50000  -286.39552  -296.60098  258
 Found four species comparison        mgri        namj        apbo        mgcf     0.50000     0.50000     1.00000     0.50000  -289.69668  -296.60098  259
 Found four species comparison        mgri        namj        apbo        mnal     0.60000     0.40000     1.20000     0.20000  -289.68665  -296.60098  260
 Found four species comparison        mgri        namj        apbo        ky       0.75000     0.50000     0.25000     0.50000  -291.07900  -296.60098  261
 Found four species comparison        mgri        namj        mgpv        ky       0.50000     0.50000     0.50000     0.50000  -291.14033  -296.60098  262
 Found four species comparison        mgri        namj        mppv        ky       0.50000     0.50000     0.50000     0.50000  -289.83842  -296.60098  263
Found three species comparison        mgri        qtz         anao     1.00000     3.00000     0.50000  -285.15418  -296.60098  264
Found three species comparison        mgri        qtz         nacf     1.00000     2.00000     1.00000  -288.98794  -296.60098  265
Found three species comparison        mgri        qtz         nnal     1.00000     2.00000     0.33333  -287.41752  -296.60098  266
Found three species comparison        mgri        qtz         neph     1.00000     2.00000     1.00000  -285.69469  -296.60098  267
Found three species comparison        mgri        coes        anao     1.00000     3.00000     0.50000  -287.10130  -296.60098  268
Found three species comparison        mgri        coes        nacf     1.00000     2.00000     1.00000  -290.28602  -296.60098  269
Found three species comparison        mgri        coes        nnal     1.00000     2.00000     0.33333  -288.71560  -296.60098  270
Found three species comparison        mgri        coes        neph     1.00000     2.00000     1.00000  -286.99277  -296.60098  271
Found three species comparison        mgri        st          anao     1.00000     3.00000     0.50000  -288.33465  -296.60098  272
Found three species comparison        mgri        st          nacf     1.00000     2.00000     1.00000  -291.10826  -296.60098  273
Found three species comparison        mgri        st          nnal     1.00000     2.00000     0.33333  -289.53783  -296.60098  274
Found three species comparison        mgri        st          neph     1.00000     2.00000     1.00000  -287.81501  -296.60098  275
Found three species comparison        mgri        apbo        anao     1.00000     3.00000     0.50000  -284.70875  -296.60098  276
Found three species comparison        mgri        apbo        nacf     1.00000     2.00000     1.00000  -288.69099  -296.60098  277
Found three species comparison        mgri        apbo        nnal     1.00000     2.00000     0.33333  -287.12056  -296.60098  278
Found three species comparison        mgri        apbo        neph     1.00000     2.00000     1.00000  -285.39774  -296.60098  279
Found three species comparison        en          mgts        namj     0.50000     0.50000     0.50000  -293.09292  -296.60098  280
  Found two species comparison        en          jd       1.00000     1.00000  -295.46807  -296.60098  281
Found three species comparison        en          co          namj     0.75000     0.50000     0.50000  -292.66771  -296.60098  282
 Found four species comparison        en          namj        qtz         mgcf     0.50000     0.50000     0.50000     0.50000  -291.32583  -296.60098  283
 Found four species comparison        en          namj        qtz         mnal     0.60000     0.40000     0.60000     0.20000  -291.64164  -296.60098  284
 Found four species comparison        en          namj        coes        mgcf     0.50000     0.50000     0.50000     0.50000  -291.65035  -296.60098  285
 Found four species comparison        en          namj        coes        mnal     0.60000     0.40000     0.60000     0.20000  -292.03106  -296.60098  286
 Found four species comparison        en          namj        st          mgcf     0.50000     0.50000     0.50000     0.50000  -291.85591  -296.60098  287
 Found four species comparison        en          namj        st          mnal     0.60000     0.40000     0.60000     0.20000  -292.27773  -296.60098  288
 Found four species comparison        en          namj        apbo        mgcf     0.50000     0.50000     0.50000     0.50000  -291.25160  -296.60098  289
 Found four species comparison        en          namj        apbo        mnal     0.60000     0.40000     0.60000     0.20000  -291.55255  -296.60098  290
Found three species comparison        en          namj        alpv     0.75000     0.50000     0.50000  -291.77348  -296.60098  291
Found three species comparison        en          namj        appv     0.75000     0.50000     0.50000  -288.72790  -296.60098  292
 Found four species comparison        en          namj        pe          ky       0.50000     0.50000     0.12500     0.50000  -291.96900  -296.60098  293
 Found four species comparison        en          namj        anao        ky       0.80000     0.40000     0.10000     0.40000  -292.29281  -296.60098  294
 Found four species comparison        en          namj        mgcf        ky       0.62500     0.50000     0.25000     0.25000  -292.33148  -296.60098  295
 Found four species comparison        en          namj        nacf        ky       0.83333     0.33333     0.33333     0.33333  -292.87452  -296.60098  296
 Found four species comparison        en          namj        mnal        ky       0.68182     0.45455     0.09091     0.27273  -292.56645  -296.60098  297
 Found four species comparison        en          namj        nnal        ky       0.83333     0.33333     0.11111     0.33333  -292.35105  -296.60098  298
 Found four species comparison        en          namj        ky          neph     0.83333     0.33333     0.33333     0.33333  -291.77677  -296.60098  299
Found three species comparison        en          qtz         anao     1.00000     2.00000     0.50000  -288.11553  -296.60098  300
Found three species comparison        en          qtz         nacf     1.00000     1.00000     1.00000  -291.94930  -296.60098  301
Found three species comparison        en          qtz         nnal     1.00000     1.00000     0.33333  -290.37887  -296.60098  302
Found three species comparison        en          qtz         neph     1.00000     1.00000     1.00000  -288.65605  -296.60098  303
Found three species comparison        en          coes        anao     1.00000     2.00000     0.50000  -289.41361  -296.60098  304
Found three species comparison        en          coes        nacf     1.00000     1.00000     1.00000  -292.59834  -296.60098  305
Found three species comparison        en          coes        nnal     1.00000     1.00000     0.33333  -291.02791  -296.60098  306
Found three species comparison        en          coes        neph     1.00000     1.00000     1.00000  -289.30509  -296.60098  307
Found three species comparison        en          st          anao     1.00000     2.00000     0.50000  -290.23585  -296.60098  308
Found three species comparison        en          st          nacf     1.00000     1.00000     1.00000  -293.00946  -296.60098  309
Found three species comparison        en          st          nnal     1.00000     1.00000     0.33333  -291.43903  -296.60098  310
Found three species comparison        en          st          neph     1.00000     1.00000     1.00000  -289.71621  -296.60098  311
Found three species comparison        en          apbo        anao     1.00000     2.00000     0.50000  -287.81858  -296.60098  312
Found three species comparison        en          apbo        nacf     1.00000     1.00000     1.00000  -291.80082  -296.60098  313
Found three species comparison        en          apbo        nnal     1.00000     1.00000     0.33333  -290.23039  -296.60098  314
Found three species comparison        en          apbo        neph     1.00000     1.00000     1.00000  -288.50757  -296.60098  315
Found three species comparison        mgts        cen         namj     0.50000     0.50000     0.50000  -292.18356  -296.60098  316
Found three species comparison        mgts        mgc2        namj     0.50000     0.50000     0.50000  -292.41169  -296.60098  317
Found three species comparison        mgts        mgil        namj     0.50000     1.00000     0.50000  -291.35530  -296.60098  318
Found three species comparison        mgts        mgmj        namj     0.50000     0.25000     0.50000  -292.62378  -296.60098  319
 Found four species comparison        mgts        namj        qtz         pe       0.50000     0.50000     1.00000     0.25000  -289.67285  -296.60098  320
 Found four species comparison        mgts        namj        coes        pe       0.50000     0.50000     1.00000     0.25000  -290.32189  -296.60098  321
 Found four species comparison        mgts        namj        st          pe       0.50000     0.50000     1.00000     0.25000  -290.73301  -296.60098  322
 Found four species comparison        mgts        namj        apbo        pe       0.50000     0.50000     1.00000     0.25000  -289.52437  -296.60098  323
Found three species comparison        mgts        namj        mgpv     0.50000     0.50000     1.00000  -290.97687  -296.60098  324
Found three species comparison        mgts        namj        mppv     0.50000     0.50000     1.00000  -288.37305  -296.60098  325
  Found two species comparison        cen         jd       1.00000     1.00000  -296.60098  -296.60098  326
Found three species comparison        cen         co          namj     0.75000     0.50000     0.50000  -292.32936  -296.60098  327
 Found four species comparison        cen         namj        qtz         mgcf     0.50000     0.50000     0.50000     0.50000  -291.10027  -296.60098  328
 Found four species comparison        cen         namj        qtz         mnal     0.60000     0.40000     0.60000     0.20000  -291.37096  -296.60098  329
 Found four species comparison        cen         namj        coes        mgcf     0.50000     0.50000     0.50000     0.50000  -291.42479  -296.60098  330
 Found four species comparison        cen         namj        coes        mnal     0.60000     0.40000     0.60000     0.20000  -291.76038  -296.60098  331
 Found four species comparison        cen         namj        st          mgcf     0.50000     0.50000     0.50000     0.50000  -291.63035  -296.60098  332
 Found four species comparison        cen         namj        st          mnal     0.60000     0.40000     0.60000     0.20000  -292.00705  -296.60098  333
 Found four species comparison        cen         namj        apbo        mgcf     0.50000     0.50000     0.50000     0.50000  -291.02603  -296.60098  334
 Found four species comparison        cen         namj        apbo        mnal     0.60000     0.40000     0.60000     0.20000  -291.28187  -296.60098  335
Found three species comparison        cen         namj        alpv     0.75000     0.50000     0.50000  -291.43513  -296.60098  336
Found three species comparison        cen         namj        appv     0.75000     0.50000     0.50000  -288.38955  -296.60098  337
 Found four species comparison        cen         namj        pe          ky       0.50000     0.50000     0.12500     0.50000  -291.74343  -296.60098  338
 Found four species comparison        cen         namj        anao        ky       0.80000     0.40000     0.10000     0.40000  -291.93191  -296.60098  339
 Found four species comparison        cen         namj        mgcf        ky       0.62500     0.50000     0.25000     0.25000  -292.04953  -296.60098  340
 Found four species comparison        cen         namj        nacf        ky       0.83333     0.33333     0.33333     0.33333  -292.49858  -296.60098  341
 Found four species comparison        cen         namj        mnal        ky       0.68182     0.45455     0.09091     0.27273  -292.25886  -296.60098  342
 Found four species comparison        cen         namj        nnal        ky       0.83333     0.33333     0.11111     0.33333  -291.97510  -296.60098  343
 Found four species comparison        cen         namj        ky          neph     0.83333     0.33333     0.33333     0.33333  -291.40083  -296.60098  344
Found three species comparison        cen         qtz         anao     1.00000     2.00000     0.50000  -287.66440  -296.60098  345
Found three species comparison        cen         qtz         nacf     1.00000     1.00000     1.00000  -291.49817  -296.60098  346
Found three species comparison        cen         qtz         nnal     1.00000     1.00000     0.33333  -289.92774  -296.60098  347
Found three species comparison        cen         qtz         neph     1.00000     1.00000     1.00000  -288.20492  -296.60098  348
Found three species comparison        cen         coes        anao     1.00000     2.00000     0.50000  -288.96248  -296.60098  349
Found three species comparison        cen         coes        nacf     1.00000     1.00000     1.00000  -292.14721  -296.60098  350
Found three species comparison        cen         coes        nnal     1.00000     1.00000     0.33333  -290.57678  -296.60098  351
Found three species comparison        cen         coes        neph     1.00000     1.00000     1.00000  -288.85396  -296.60098  352
Found three species comparison        cen         st          anao     1.00000     2.00000     0.50000  -289.78472  -296.60098  353
Found three species comparison        cen         st          nacf     1.00000     1.00000     1.00000  -292.55832  -296.60098  354
Found three species comparison        cen         st          nnal     1.00000     1.00000     0.33333  -290.98790  -296.60098  355
Found three species comparison        cen         st          neph     1.00000     1.00000     1.00000  -289.26508  -296.60098  356
Found three species comparison        cen         apbo        anao     1.00000     2.00000     0.50000  -287.36745  -296.60098  357
Found three species comparison        cen         apbo        nacf     1.00000     1.00000     1.00000  -291.34969  -296.60098  358
Found three species comparison        cen         apbo        nnal     1.00000     1.00000     0.33333  -289.77926  -296.60098  359
Found three species comparison        cen         apbo        neph     1.00000     1.00000     1.00000  -288.05644  -296.60098  360
  Found two species comparison        jd          mgc2     1.00000     1.00000  -295.47320  -296.60098  361
  Found two species comparison        jd          mgil     1.00000     2.00000  -293.36042  -296.60098  362
  Found two species comparison        jd          mgmj     1.00000     0.50000  -294.97096  -296.60098  363
Found three species comparison        jd          qtz         pe       1.00000     2.00000     0.50000  -289.99552  -296.60098  364
Found three species comparison        jd          coes        pe       1.00000     2.00000     0.50000  -291.29360  -296.60098  365
Found three species comparison        jd          st          pe       1.00000     2.00000     0.50000  -292.11584  -296.60098  366
Found three species comparison        jd          apbo        pe       1.00000     2.00000     0.50000  -289.69857  -296.60098  367
  Found two species comparison        jd          mgpv     1.00000     2.00000  -292.60356  -296.60098  368
  Found two species comparison        jd          mppv     1.00000     2.00000  -287.39591  -296.60098  369
Found three species comparison        mgc2        co          namj     0.75000     0.50000     0.50000  -292.67155  -296.60098  370
 Found four species comparison        mgc2        namj        qtz         mgcf     0.50000     0.50000     0.50000     0.50000  -291.32840  -296.60098  371
 Found four species comparison        mgc2        namj        qtz         mnal     0.60000     0.40000     0.60000     0.20000  -291.64471  -296.60098  372
 Found four species comparison        mgc2        namj        coes        mgcf     0.50000     0.50000     0.50000     0.50000  -291.65292  -296.60098  373
 Found four species comparison        mgc2        namj        coes        mnal     0.60000     0.40000     0.60000     0.20000  -292.03414  -296.60098  374
 Found four species comparison        mgc2        namj        st          mgcf     0.50000     0.50000     0.50000     0.50000  -291.85848  -296.60098  375
 Found four species comparison        mgc2        namj        st          mnal     0.60000     0.40000     0.60000     0.20000  -292.28081  -296.60098  376
 Found four species comparison        mgc2        namj        apbo        mgcf     0.50000     0.50000     0.50000     0.50000  -291.25416  -296.60098  377
 Found four species comparison        mgc2        namj        apbo        mnal     0.60000     0.40000     0.60000     0.20000  -291.55563  -296.60098  378
Found three species comparison        mgc2        namj        alpv     0.75000     0.50000     0.50000  -291.77732  -296.60098  379
Found three species comparison        mgc2        namj        appv     0.75000     0.50000     0.50000  -288.73174  -296.60098  380
 Found four species comparison        mgc2        namj        pe          ky       0.50000     0.50000     0.12500     0.50000  -291.97156  -296.60098  381
 Found four species comparison        mgc2        namj        anao        ky       0.80000     0.40000     0.10000     0.40000  -292.29692  -296.60098  382
 Found four species comparison        mgc2        namj        mgcf        ky       0.62500     0.50000     0.25000     0.25000  -292.33469  -296.60098  383
 Found four species comparison        mgc2        namj        nacf        ky       0.83333     0.33333     0.33333     0.33333  -292.87880  -296.60098  384
 Found four species comparison        mgc2        namj        mnal        ky       0.68182     0.45455     0.09091     0.27273  -292.56995  -296.60098  385
 Found four species comparison        mgc2        namj        nnal        ky       0.83333     0.33333     0.11111     0.33333  -292.35532  -296.60098  386
 Found four species comparison        mgc2        namj        ky          neph     0.83333     0.33333     0.33333     0.33333  -291.78105  -296.60098  387
Found three species comparison        mgc2        qtz         anao     1.00000     2.00000     0.50000  -288.12066  -296.60098  388
Found three species comparison        mgc2        qtz         nacf     1.00000     1.00000     1.00000  -291.95443  -296.60098  389
Found three species comparison        mgc2        qtz         nnal     1.00000     1.00000     0.33333  -290.38400  -296.60098  390
Found three species comparison        mgc2        qtz         neph     1.00000     1.00000     1.00000  -288.66118  -296.60098  391
Found three species comparison        mgc2        coes        anao     1.00000     2.00000     0.50000  -289.41874  -296.60098  392
Found three species comparison        mgc2        coes        nacf     1.00000     1.00000     1.00000  -292.60347  -296.60098  393
Found three species comparison        mgc2        coes        nnal     1.00000     1.00000     0.33333  -291.03304  -296.60098  394
Found three species comparison        mgc2        coes        neph     1.00000     1.00000     1.00000  -289.31022  -296.60098  395
Found three species comparison        mgc2        st          anao     1.00000     2.00000     0.50000  -290.24098  -296.60098  396
Found three species comparison        mgc2        st          nacf     1.00000     1.00000     1.00000  -293.01458  -296.60098  397
Found three species comparison        mgc2        st          nnal     1.00000     1.00000     0.33333  -291.44416  -296.60098  398
Found three species comparison        mgc2        st          neph     1.00000     1.00000     1.00000  -289.72134  -296.60098  399
Found three species comparison        mgc2        apbo        anao     1.00000     2.00000     0.50000  -287.82371  -296.60098  400
Found three species comparison        mgc2        apbo        nacf     1.00000     1.00000     1.00000  -291.80595  -296.60098  401
Found three species comparison        mgc2        apbo        nnal     1.00000     1.00000     0.33333  -290.23552  -296.60098  402
Found three species comparison        mgc2        apbo        neph     1.00000     1.00000     1.00000  -288.51270  -296.60098  403
Found three species comparison        mgil        co          namj     1.50000     0.50000     0.50000  -292.19319  -296.60098  404
 Found four species comparison        mgil        namj        qtz         mgcf     1.00000     0.50000     0.50000     0.50000  -290.27201  -296.60098  405
 Found four species comparison        mgil        namj        qtz         mnal     1.20000     0.40000     0.60000     0.20000  -290.37705  -296.60098  406
 Found four species comparison        mgil        namj        coes        mgcf     1.00000     0.50000     0.50000     0.50000  -290.59653  -296.60098  407
 Found four species comparison        mgil        namj        coes        mnal     1.20000     0.40000     0.60000     0.20000  -290.76647  -296.60098  408
 Found four species comparison        mgil        namj        st          mgcf     1.00000     0.50000     0.50000     0.50000  -290.80209  -296.60098  409
 Found four species comparison        mgil        namj        st          mnal     1.20000     0.40000     0.60000     0.20000  -291.01314  -296.60098  410
 Found four species comparison        mgil        namj        apbo        mgcf     1.00000     0.50000     0.50000     0.50000  -290.19777  -296.60098  411
 Found four species comparison        mgil        namj        apbo        mnal     1.20000     0.40000     0.60000     0.20000  -290.28796  -296.60098  412
Found three species comparison        mgil        namj        alpv     1.50000     0.50000     0.50000  -290.19274  -296.60098  413
Found three species comparison        mgil        namj        appv     1.50000     0.50000     0.50000  -287.14716  -296.60098  414
 Found four species comparison        mgil        namj        pe          ky       1.00000     0.50000     0.12500     0.50000  -290.91517  -296.60098  415
 Found four species comparison        mgil        namj        anao        ky       1.60000     0.40000     0.10000     0.40000  -290.60670  -296.60098  416
 Found four species comparison        mgil        namj        mgcf        ky       1.25000     0.50000     0.25000     0.25000  -291.01420  -296.60098  417
 Found four species comparison        mgil        namj        nacf        ky       1.66667     0.33333     0.33333     0.33333  -291.11815  -296.60098  418
 Found four species comparison        mgil        namj        mnal        ky       1.36364     0.45455     0.09091     0.27273  -291.12942  -296.60098  419
 Found four species comparison        mgil        namj        nnal        ky       1.66667     0.33333     0.11111     0.33333  -290.59467  -296.60098  420
 Found four species comparison        mgil        namj        ky          neph     1.66667     0.33333     0.33333     0.33333  -290.02040  -296.60098  421
Found three species comparison        mgil        qtz         anao     2.00000     2.00000     0.50000  -286.00788  -296.60098  422
Found three species comparison        mgil        qtz         nacf     2.00000     1.00000     1.00000  -289.84165  -296.60098  423
Found three species comparison        mgil        qtz         nnal     2.00000     1.00000     0.33333  -288.27122  -296.60098  424
Found three species comparison        mgil        qtz         neph     2.00000     1.00000     1.00000  -286.54840  -296.60098  425
Found three species comparison        mgil        coes        anao     2.00000     2.00000     0.50000  -287.30597  -296.60098  426
Found three species comparison        mgil        coes        nacf     2.00000     1.00000     1.00000  -290.49069  -296.60098  427
Found three species comparison        mgil        coes        nnal     2.00000     1.00000     0.33333  -288.92026  -296.60098  428
Found three species comparison        mgil        coes        neph     2.00000     1.00000     1.00000  -287.19744  -296.60098  429
Found three species comparison        mgil        st          anao     2.00000     2.00000     0.50000  -288.12820  -296.60098  430
Found three species comparison        mgil        st          nacf     2.00000     1.00000     1.00000  -290.90181  -296.60098  431
Found three species comparison        mgil        st          nnal     2.00000     1.00000     0.33333  -289.33138  -296.60098  432
Found three species comparison        mgil        st          neph     2.00000     1.00000     1.00000  -287.60856  -296.60098  433
Found three species comparison        mgil        apbo        anao     2.00000     2.00000     0.50000  -285.71093  -296.60098  434
Found three species comparison        mgil        apbo        nacf     2.00000     1.00000     1.00000  -289.69317  -296.60098  435
Found three species comparison        mgil        apbo        nnal     2.00000     1.00000     0.33333  -288.12275  -296.60098  436
Found three species comparison        mgil        apbo        neph     2.00000     1.00000     1.00000  -286.39992  -296.60098  437
Found three species comparison        co          mgmj        namj     0.50000     0.37500     0.50000  -292.90391  -296.60098  438
 Found four species comparison        co          namj        qtz         pe       0.50000     0.50000     1.50000     0.37500  -288.56329  -296.60098  439
 Found four species comparison        co          namj        coes        pe       0.50000     0.50000     1.50000     0.37500  -289.53685  -296.60098  440
 Found four species comparison        co          namj        st          pe       0.50000     0.50000     1.50000     0.37500  -290.15353  -296.60098  441
 Found four species comparison        co          namj        apbo        pe       0.50000     0.50000     1.50000     0.37500  -288.34058  -296.60098  442
Found three species comparison        co          namj        mgpv     0.50000     0.50000     1.50000  -290.51933  -296.60098  443
Found three species comparison        co          namj        mppv     0.50000     0.50000     1.50000  -286.61359  -296.60098  444
  Found two species comparison        py          namj     0.50000     0.50000  -296.60142  -296.60098  445
 Found four species comparison        mgmj        namj        qtz         mgcf     0.25000     0.50000     0.50000     0.50000  -291.54049  -296.60098  446
 Found four species comparison        mgmj        namj        qtz         mnal     0.30000     0.40000     0.60000     0.20000  -291.83060  -296.60098  447
 Found four species comparison        mgmj        namj        coes        mgcf     0.25000     0.50000     0.50000     0.50000  -291.86501  -296.60098  448
 Found four species comparison        mgmj        namj        coes        mnal     0.30000     0.40000     0.60000     0.20000  -292.22002  -296.60098  449
 Found four species comparison        mgmj        namj        st          mgcf     0.25000     0.50000     0.50000     0.50000  -292.07057  -296.60098  450
 Found four species comparison        mgmj        namj        st          mnal     0.30000     0.40000     0.60000     0.20000  -292.46669  -296.60098  451
 Found four species comparison        mgmj        namj        apbo        mgcf     0.25000     0.50000     0.50000     0.50000  -291.46625  -296.60098  452
 Found four species comparison        mgmj        namj        apbo        mnal     0.30000     0.40000     0.60000     0.20000  -291.74151  -296.60098  453
Found three species comparison        mgmj        namj        alpv     0.37500     0.50000     0.50000  -292.00968  -296.60098  454
Found three species comparison        mgmj        namj        appv     0.37500     0.50000     0.50000  -288.96410  -296.60098  455
 Found four species comparison        mgmj        namj        pe          ky       0.25000     0.50000     0.12500     0.50000  -292.18365  -296.60098  456
 Found four species comparison        mgmj        namj        anao        ky       0.40000     0.40000     0.10000     0.40000  -292.48689  -296.60098  457
 Found four species comparison        mgmj        namj        mgcf        ky       0.31250     0.50000     0.25000     0.25000  -292.55923  -296.60098  458
 Found four species comparison        mgmj        namj        nacf        ky       0.41667     0.33333     0.33333     0.33333  -293.03319  -296.60098  459
 Found four species comparison        mgmj        namj        mnal        ky       0.34091     0.45455     0.09091     0.27273  -292.78118  -296.60098  460
 Found four species comparison        mgmj        namj        nnal        ky       0.41667     0.33333     0.11111     0.33333  -292.50971  -296.60098  461
 Found four species comparison        mgmj        namj        ky          neph     0.41667     0.33333     0.33333     0.33333  -291.93544  -296.60098  462
Found three species comparison        mgmj        qtz         anao     0.50000     2.00000     0.50000  -287.61843  -296.60098  463
Found three species comparison        mgmj        qtz         nacf     0.50000     1.00000     1.00000  -291.45219  -296.60098  464
Found three species comparison        mgmj        qtz         nnal     0.50000     1.00000     0.33333  -289.88176  -296.60098  465
Found three species comparison        mgmj        qtz         neph     0.50000     1.00000     1.00000  -288.15894  -296.60098  466
Found three species comparison        mgmj        coes        anao     0.50000     2.00000     0.50000  -288.91651  -296.60098  467
Found three species comparison        mgmj        coes        nacf     0.50000     1.00000     1.00000  -292.10123  -296.60098  468
Found three species comparison        mgmj        coes        nnal     0.50000     1.00000     0.33333  -290.53080  -296.60098  469
Found three species comparison        mgmj        coes        neph     0.50000     1.00000     1.00000  -288.80798  -296.60098  470
Found three species comparison        mgmj        st          anao     0.50000     2.00000     0.50000  -289.73874  -296.60098  471
Found three species comparison        mgmj        st          nacf     0.50000     1.00000     1.00000  -292.51235  -296.60098  472
Found three species comparison        mgmj        st          nnal     0.50000     1.00000     0.33333  -290.94192  -296.60098  473
Found three species comparison        mgmj        st          neph     0.50000     1.00000     1.00000  -289.21910  -296.60098  474
Found three species comparison        mgmj        apbo        anao     0.50000     2.00000     0.50000  -287.32147  -296.60098  475
Found three species comparison        mgmj        apbo        nacf     0.50000     1.00000     1.00000  -291.30371  -296.60098  476
Found three species comparison        mgmj        apbo        nnal     0.50000     1.00000     0.33333  -289.73329  -296.60098  477
Found three species comparison        mgmj        apbo        neph     0.50000     1.00000     1.00000  -288.01047  -296.60098  478
 Found four species comparison        namj        qtz         mgpv        mgcf     0.50000     0.50000     1.00000     0.50000  -289.89358  -296.60098  479
 Found four species comparison        namj        qtz         mgpv        mnal     0.40000     0.60000     1.20000     0.20000  -289.92293  -296.60098  480
 Found four species comparison        namj        qtz         alpv        pe       0.50000     1.50000     0.50000     0.37500  -287.66906  -296.60098  481
 Found four species comparison        namj        qtz         mppv        mgcf     0.50000     0.50000     1.00000     0.50000  -287.28975  -296.60098  482
 Found four species comparison        namj        qtz         mppv        mnal     0.40000     0.60000     1.20000     0.20000  -286.79834  -296.60098  483
 Found four species comparison        namj        qtz         appv        pe       0.50000     1.50000     0.50000     0.37500  -284.62348  -296.60098  484
 Found four species comparison        namj        qtz         pe          mgcf     0.50000     1.50000     0.25000     0.50000  -288.58956  -296.60098  485
 Found four species comparison        namj        qtz         pe          mnal     0.40000     1.80000     0.30000     0.20000  -288.35810  -296.60098  486
 Found four species comparison        namj        qtz         pe          ky       0.50000     1.00000     0.37500     0.50000  -289.23272  -296.60098  487
 Found four species comparison        namj        coes        mgpv        mgcf     0.50000     0.50000     1.00000     0.50000  -290.21810  -296.60098  488
 Found four species comparison        namj        coes        mgpv        mnal     0.40000     0.60000     1.20000     0.20000  -290.31235  -296.60098  489
 Found four species comparison        namj        coes        alpv        pe       0.50000     1.50000     0.50000     0.37500  -288.64262  -296.60098  490
 Found four species comparison        namj        coes        mppv        mgcf     0.50000     0.50000     1.00000     0.50000  -287.61428  -296.60098  491
 Found four species comparison        namj        coes        mppv        mnal     0.40000     0.60000     1.20000     0.20000  -287.18777  -296.60098  492
 Found four species comparison        namj        coes        appv        pe       0.50000     1.50000     0.50000     0.37500  -285.59704  -296.60098  493
 Found four species comparison        namj        coes        pe          mgcf     0.50000     1.50000     0.25000     0.50000  -289.56312  -296.60098  494
 Found four species comparison        namj        coes        pe          mnal     0.40000     1.80000     0.30000     0.20000  -289.52638  -296.60098  495
 Found four species comparison        namj        coes        pe          ky       0.50000     1.00000     0.37500     0.50000  -289.88176  -296.60098  496
 Found four species comparison        namj        st          mgpv        mgcf     0.50000     0.50000     1.00000     0.50000  -290.42366  -296.60098  497
 Found four species comparison        namj        st          mgpv        mnal     0.40000     0.60000     1.20000     0.20000  -290.55903  -296.60098  498
 Found four species comparison        namj        st          alpv        pe       0.50000     1.50000     0.50000     0.37500  -289.25930  -296.60098  499
 Found four species comparison        namj        st          mppv        mgcf     0.50000     0.50000     1.00000     0.50000  -287.81983  -296.60098  500
 Found four species comparison        namj        st          mppv        mnal     0.40000     0.60000     1.20000     0.20000  -287.43444  -296.60098  501
 Found four species comparison        namj        st          appv        pe       0.50000     1.50000     0.50000     0.37500  -286.21372  -296.60098  502
 Found four species comparison        namj        st          pe          mgcf     0.50000     1.50000     0.25000     0.50000  -290.17980  -296.60098  503
 Found four species comparison        namj        st          pe          mnal     0.40000     1.80000     0.30000     0.20000  -290.26639  -296.60098  504
 Found four species comparison        namj        st          pe          ky       0.50000     1.00000     0.37500     0.50000  -290.29288  -296.60098  505
 Found four species comparison        namj        apbo        mgpv        mgcf     0.50000     0.50000     1.00000     0.50000  -289.81934  -296.60098  506
 Found four species comparison        namj        apbo        mgpv        mnal     0.40000     0.60000     1.20000     0.20000  -289.83384  -296.60098  507
 Found four species comparison        namj        apbo        alpv        pe       0.50000     1.50000     0.50000     0.37500  -287.44635  -296.60098  508
 Found four species comparison        namj        apbo        mppv        mgcf     0.50000     0.50000     1.00000     0.50000  -287.21552  -296.60098  509
 Found four species comparison        namj        apbo        mppv        mnal     0.40000     0.60000     1.20000     0.20000  -286.70926  -296.60098  510
 Found four species comparison        namj        apbo        appv        pe       0.50000     1.50000     0.50000     0.37500  -284.40077  -296.60098  511
 Found four species comparison        namj        apbo        pe          mgcf     0.50000     1.50000     0.25000     0.50000  -288.36684  -296.60098  512
 Found four species comparison        namj        apbo        pe          mnal     0.40000     1.80000     0.30000     0.20000  -288.09085  -296.60098  513
 Found four species comparison        namj        apbo        pe          ky       0.50000     1.00000     0.37500     0.50000  -289.08424  -296.60098  514
Found three species comparison        namj        mgpv        alpv     0.50000     1.50000     0.50000  -291.18823  -296.60098  515
Found three species comparison        namj        mgpv        appv     0.50000     1.50000     0.50000  -286.57951  -296.60098  516
 Found four species comparison        namj        mgpv        pe          ky       0.50000     1.00000     0.12500     0.50000  -290.53674  -296.60098  517
 Found four species comparison        namj        mgpv        anao        ky       0.40000     1.60000     0.10000     0.40000  -290.00121  -296.60098  518
 Found four species comparison        namj        mgpv        mgcf        ky       0.50000     1.25000     0.25000     0.25000  -290.54117  -296.60098  519
 Found four species comparison        namj        mgpv        nacf        ky       0.33333     1.66667     0.33333     0.33333  -290.48743  -296.60098  520
 Found four species comparison        namj        mgpv        mnal        ky       0.45455     1.36364     0.09091     0.27273  -290.61338  -296.60098  521
 Found four species comparison        namj        mgpv        nnal        ky       0.33333     1.66667     0.11111     0.33333  -289.96395  -296.60098  522
 Found four species comparison        namj        mgpv        ky          neph     0.33333     1.66667     0.33333     0.33333  -289.38968  -296.60098  523
Found three species comparison        namj        alpv        mppv     0.50000     0.50000     1.50000  -285.71936  -296.60098  524
Found three species comparison        namj        mppv        appv     0.50000     1.50000     0.50000  -284.23653  -296.60098  525
 Found four species comparison        namj        mppv        pe          ky       0.50000     1.00000     0.12500     0.50000  -287.93292  -296.60098  526
 Found four species comparison        namj        mppv        anao        ky       0.40000     1.60000     0.10000     0.40000  -285.83509  -296.60098  527
 Found four species comparison        namj        mppv        mgcf        ky       0.50000     1.25000     0.25000     0.25000  -287.28639  -296.60098  528
 Found four species comparison        namj        mppv        nacf        ky       0.33333     1.66667     0.33333     0.33333  -286.14772  -296.60098  529
 Found four species comparison        namj        mppv        mnal        ky       0.45455     1.36364     0.09091     0.27273  -287.06271  -296.60098  530
 Found four species comparison        namj        mppv        nnal        ky       0.33333     1.66667     0.11111     0.33333  -285.62425  -296.60098  531
 Found four species comparison        namj        mppv        ky          neph     0.33333     1.66667     0.33333     0.33333  -285.04997  -296.60098  532
Found three species comparison        qtz         mgpv        anao     2.00000     2.00000     0.50000  -285.25102  -296.60098  533
Found three species comparison        qtz         mgpv        nacf     1.00000     2.00000     1.00000  -289.08479  -296.60098  534
Found three species comparison        qtz         mgpv        nnal     1.00000     2.00000     0.33333  -287.51436  -296.60098  535
Found three species comparison        qtz         mgpv        neph     1.00000     2.00000     1.00000  -285.79154  -296.60098  536
Found three species comparison        qtz         mppv        anao     2.00000     2.00000     0.50000  -280.04337  -296.60098  537
Found three species comparison        qtz         mppv        nacf     1.00000     2.00000     1.00000  -283.87714  -296.60098  538
Found three species comparison        qtz         mppv        nnal     1.00000     2.00000     0.33333  -282.30671  -296.60098  539
Found three species comparison        qtz         mppv        neph     1.00000     2.00000     1.00000  -280.58389  -296.60098  540
Found three species comparison        qtz         pe          anao     4.00000     0.50000     0.50000  -283.87817  -296.60098  541
Found three species comparison        qtz         pe          nacf     3.00000     0.50000     1.00000  -286.47674  -296.60098  542
Found three species comparison        qtz         pe          nnal     3.00000     0.50000     0.33333  -284.90632  -296.60098  543
Found three species comparison        qtz         pe          neph     3.00000     0.50000     1.00000  -283.18350  -296.60098  544
Found three species comparison        coes        mgpv        anao     2.00000     2.00000     0.50000  -286.54910  -296.60098  545
Found three species comparison        coes        mgpv        nacf     1.00000     2.00000     1.00000  -289.73383  -296.60098  546
Found three species comparison        coes        mgpv        nnal     1.00000     2.00000     0.33333  -288.16340  -296.60098  547
Found three species comparison        coes        mgpv        neph     1.00000     2.00000     1.00000  -286.44058  -296.60098  548
Found three species comparison        coes        mppv        anao     2.00000     2.00000     0.50000  -281.34146  -296.60098  549
Found three species comparison        coes        mppv        nacf     1.00000     2.00000     1.00000  -284.52618  -296.60098  550
Found three species comparison        coes        mppv        nnal     1.00000     2.00000     0.33333  -282.95575  -296.60098  551
Found three species comparison        coes        mppv        neph     1.00000     2.00000     1.00000  -281.23293  -296.60098  552
Found three species comparison        coes        pe          anao     4.00000     0.50000     0.50000  -286.47433  -296.60098  553
Found three species comparison        coes        pe          nacf     3.00000     0.50000     1.00000  -288.42387  -296.60098  554
Found three species comparison        coes        pe          nnal     3.00000     0.50000     0.33333  -286.85344  -296.60098  555
Found three species comparison        coes        pe          neph     3.00000     0.50000     1.00000  -285.13062  -296.60098  556
Found three species comparison        st          mgpv        anao     2.00000     2.00000     0.50000  -287.37134  -296.60098  557
Found three species comparison        st          mgpv        nacf     1.00000     2.00000     1.00000  -290.14495  -296.60098  558
Found three species comparison        st          mgpv        nnal     1.00000     2.00000     0.33333  -288.57452  -296.60098  559
Found three species comparison        st          mgpv        neph     1.00000     2.00000     1.00000  -286.85170  -296.60098  560
Found three species comparison        st          mppv        anao     2.00000     2.00000     0.50000  -282.16369  -296.60098  561
Found three species comparison        st          mppv        nacf     1.00000     2.00000     1.00000  -284.93730  -296.60098  562
Found three species comparison        st          mppv        nnal     1.00000     2.00000     0.33333  -283.36687  -296.60098  563
Found three species comparison        st          mppv        neph     1.00000     2.00000     1.00000  -281.64405  -296.60098  564
Found three species comparison        st          pe          anao     4.00000     0.50000     0.50000  -288.11881  -296.60098  565
Found three species comparison        st          pe          nacf     3.00000     0.50000     1.00000  -289.65722  -296.60098  566
Found three species comparison        st          pe          nnal     3.00000     0.50000     0.33333  -288.08679  -296.60098  567
Found three species comparison        st          pe          neph     3.00000     0.50000     1.00000  -286.36397  -296.60098  568
Found three species comparison        apbo        mgpv        anao     2.00000     2.00000     0.50000  -284.95407  -296.60098  569
Found three species comparison        apbo        mgpv        nacf     1.00000     2.00000     1.00000  -288.93631  -296.60098  570
Found three species comparison        apbo        mgpv        nnal     1.00000     2.00000     0.33333  -287.36588  -296.60098  571
Found three species comparison        apbo        mgpv        neph     1.00000     2.00000     1.00000  -285.64306  -296.60098  572
Found three species comparison        apbo        mppv        anao     2.00000     2.00000     0.50000  -279.74642  -296.60098  573
Found three species comparison        apbo        mppv        nacf     1.00000     2.00000     1.00000  -283.72866  -296.60098  574
Found three species comparison        apbo        mppv        nnal     1.00000     2.00000     0.33333  -282.15824  -296.60098  575
Found three species comparison        apbo        mppv        neph     1.00000     2.00000     1.00000  -280.43541  -296.60098  576
Found three species comparison        apbo        pe          anao     4.00000     0.50000     0.50000  -283.28427  -296.60098  577
Found three species comparison        apbo        pe          nacf     3.00000     0.50000     1.00000  -286.03132  -296.60098  578
Found three species comparison        apbo        pe          nnal     3.00000     0.50000     0.33333  -284.46089  -296.60098  579
Found three species comparison        apbo        pe          neph     3.00000     0.50000     1.00000  -282.73807  -296.60098  580
 438 pynamj             8.00   4.00   0.00   0.00   2.00   2.00  24.00
Number of non-zero components,phases,Gapp    5    1      -265.27912        13.50000      1823.00000
 Found four species comparison        ab          sp          en          namj     0.66667     0.16667     1.33333     0.66667  -260.33743  -265.27912    1
 Found four species comparison        ab          sp          cen         namj     0.66667     0.16667     1.33333     0.66667  -260.02125  -265.27912    2
 Found four species comparison        ab          sp          mgc2        namj     0.66667     0.16667     1.33333     0.66667  -260.39568  -265.27912    3
 Found four species comparison        ab          sp          mgil        namj     0.66667     0.16667     2.66667     0.66667  -259.44705  -265.27912    4
 Found four species comparison        ab          sp          mgmj        namj     0.66667     0.16667     0.66667     0.66667  -260.24722  -265.27912    5
 Found four species comparison        ab          sp          namj        mgpv     0.66667     0.16667     0.66667     2.66667  -258.58296  -265.27912    6
 Found four species comparison        ab          sp          namj        mppv     0.66667     0.16667     0.66667     2.66667  -255.34231  -265.27912    7
  Found two species comparison        ab          fo       2.00000     2.00000  -256.92400  -265.27912    8
  Found two species comparison        ab          mgwa     2.00000     2.00000  -256.83332  -265.27912    9
  Found two species comparison        ab          mgri     2.00000     2.00000  -256.54656  -265.27912   10
 Found four species comparison        ab          en          namj        mgcf     0.66667     1.33333     0.66667     0.66667  -260.07548  -265.27912   11
 Found four species comparison        ab          en          namj        mnal     0.75000     1.50000     0.50000     0.25000  -260.22223  -265.27912   12
Found three species comparison        ab          en          pe       2.00000     1.00000     0.50000  -256.39072  -265.27912   13
Found three species comparison        ab          en          anao     1.33333     2.00000     0.33333  -258.54034  -265.27912   14
Found three species comparison        ab          en          nacf     1.00000     2.00000     1.00000  -259.72980  -265.27912   15
Found three species comparison        ab          en          nnal     1.00000     2.00000     0.33333  -259.33065  -265.27912   16
Found three species comparison        ab          en          neph     1.00000     2.00000     1.00000  -258.35461  -265.27912   17
 Found four species comparison        ab          cen         namj        mgcf     0.66667     1.33333     0.66667     0.66667  -259.75930  -265.27912   18
 Found four species comparison        ab          cen         namj        mnal     0.75000     1.50000     0.50000     0.25000  -259.86652  -265.27912   19
Found three species comparison        ab          cen         pe       2.00000     1.00000     0.50000  -256.15358  -265.27912   20
Found three species comparison        ab          cen         anao     1.33333     2.00000     0.33333  -258.06607  -265.27912   21
Found three species comparison        ab          cen         nacf     1.00000     2.00000     1.00000  -259.25553  -265.27912   22
Found three species comparison        ab          cen         nnal     1.00000     2.00000     0.33333  -258.85638  -265.27912   23
Found three species comparison        ab          cen         neph     1.00000     2.00000     1.00000  -257.88033  -265.27912   24
 Found four species comparison        ab          mgc2        namj        mgcf     0.66667     1.33333     0.66667     0.66667  -260.13374  -265.27912   25
 Found four species comparison        ab          mgc2        namj        mnal     0.75000     1.50000     0.50000     0.25000  -260.28776  -265.27912   26
Found three species comparison        ab          mgc2        pe       2.00000     1.00000     0.50000  -256.43441  -265.27912   27
Found three species comparison        ab          mgc2        anao     1.33333     2.00000     0.33333  -258.62772  -265.27912   28
Found three species comparison        ab          mgc2        nacf     1.00000     2.00000     1.00000  -259.81718  -265.27912   29
Found three species comparison        ab          mgc2        nnal     1.00000     2.00000     0.33333  -259.41803  -265.27912   30
Found three species comparison        ab          mgc2        neph     1.00000     2.00000     1.00000  -258.44199  -265.27912   31
 Found four species comparison        ab          mgil        namj        mgcf     0.66667     2.66667     0.66667     0.66667  -259.18510  -265.27912   32
 Found four species comparison        ab          mgil        namj        mnal     0.75000     3.00000     0.50000     0.25000  -259.22055  -265.27912   33
Found three species comparison        ab          mgil        pe       2.00000     2.00000     0.50000  -255.72294  -265.27912   34
Found three species comparison        ab          mgil        anao     1.33333     4.00000     0.33333  -257.20477  -265.27912   35
Found three species comparison        ab          mgil        nacf     1.00000     4.00000     1.00000  -258.39423  -265.27912   36
Found three species comparison        ab          mgil        nnal     1.00000     4.00000     0.33333  -257.99508  -265.27912   37
Found three species comparison        ab          mgil        neph     1.00000     4.00000     1.00000  -257.01904  -265.27912   38
 Found four species comparison        ab          mgmj        namj        mgcf     0.66667     0.66667     0.66667     0.66667  -259.98527  -265.27912   39
 Found four species comparison        ab          mgmj        namj        mnal     0.75000     0.75000     0.50000     0.25000  -260.09800  -265.27912   40
Found three species comparison        ab          mgmj        pe       2.00000     0.50000     0.50000  -256.14161  -265.27912   41
Found three species comparison        ab          mgmj        anao     1.33333     1.00000     0.33333  -258.04211  -265.27912   42
Found three species comparison        ab          mgmj        nacf     1.00000     1.00000     1.00000  -259.23157  -265.27912   43
Found three species comparison        ab          mgmj        nnal     1.00000     1.00000     0.33333  -258.83242  -265.27912   44
Found three species comparison        ab          mgmj        neph     1.00000     1.00000     1.00000  -257.85638  -265.27912   45
 Found four species comparison        ab          namj        mgpv        mgcf     0.66667     0.66667     2.66667     0.66667  -258.32101  -265.27912   46
 Found four species comparison        ab          namj        mgpv        mnal     0.75000     0.50000     3.00000     0.25000  -258.24844  -265.27912   47
 Found four species comparison        ab          namj        mppv        mgcf     0.66667     0.66667     2.66667     0.66667  -255.08037  -265.27912   48
 Found four species comparison        ab          namj        mppv        mnal     0.75000     0.50000     3.00000     0.25000  -254.60272  -265.27912   49
Found three species comparison        ab          qtz         pe       2.00000     2.00000     1.00000  -253.70066  -265.27912   50
Found three species comparison        ab          coes        pe       2.00000     2.00000     1.00000  -254.32284  -265.27912   51
Found three species comparison        ab          st          pe       2.00000     2.00000     1.00000  -255.11451  -265.27912   52
Found three species comparison        ab          apbo        pe       2.00000     2.00000     1.00000  -253.97040  -265.27912   53
Found three species comparison        ab          mgpv        pe       2.00000     2.00000     0.50000  -255.07487  -265.27912   54
Found three species comparison        ab          mgpv        anao     1.33333     4.00000     0.33333  -255.90863  -265.27912   55
Found three species comparison        ab          mgpv        nacf     1.00000     4.00000     1.00000  -257.09809  -265.27912   56
Found three species comparison        ab          mgpv        nnal     1.00000     4.00000     0.33333  -256.69894  -265.27912   57
Found three species comparison        ab          mgpv        neph     1.00000     4.00000     1.00000  -255.72290  -265.27912   58
Found three species comparison        ab          mppv        pe       2.00000     2.00000     0.50000  -252.64438  -265.27912   59
Found three species comparison        ab          mppv        anao     1.33333     4.00000     0.33333  -251.04766  -265.27912   60
Found three species comparison        ab          mppv        nacf     1.00000     4.00000     1.00000  -252.23713  -265.27912   61
Found three species comparison        ab          mppv        nnal     1.00000     4.00000     0.33333  -251.83798  -265.27912   62
Found three species comparison        ab          mppv        neph     1.00000     4.00000     1.00000  -250.86193  -265.27912   63
 Found four species comparison        sp          fo          namj        qtz      0.25000     1.00000     1.00000     2.00000  -259.88736  -265.27912   64
 Found four species comparison        sp          fo          namj        coes     0.25000     1.00000     1.00000     2.00000  -260.50955  -265.27912   65
 Found four species comparison        sp          fo          namj        st       0.25000     1.00000     1.00000     2.00000  -261.30122  -265.27912   66
 Found four species comparison        sp          fo          namj        apbo     0.25000     1.00000     1.00000     2.00000  -260.15710  -265.27912   67
 Found four species comparison        sp          mgwa        namj        qtz      0.25000     1.00000     1.00000     2.00000  -259.84202  -265.27912   68
 Found four species comparison        sp          mgwa        namj        coes     0.25000     1.00000     1.00000     2.00000  -260.46420  -265.27912   69
 Found four species comparison        sp          mgwa        namj        st       0.25000     1.00000     1.00000     2.00000  -261.25587  -265.27912   70
 Found four species comparison        sp          mgwa        namj        apbo     0.25000     1.00000     1.00000     2.00000  -260.11176  -265.27912   71
 Found four species comparison        sp          mgri        namj        qtz      0.25000     1.00000     1.00000     2.00000  -259.69864  -265.27912   72
 Found four species comparison        sp          mgri        namj        coes     0.25000     1.00000     1.00000     2.00000  -260.32082  -265.27912   73
 Found four species comparison        sp          mgri        namj        st       0.25000     1.00000     1.00000     2.00000  -261.11249  -265.27912   74
 Found four species comparison        sp          mgri        namj        apbo     0.25000     1.00000     1.00000     2.00000  -259.96838  -265.27912   75
 Found four species comparison        sp          en          namj        qtz      0.25000     1.00000     1.00000     1.00000  -260.96575  -265.27912   76
 Found four species comparison        sp          en          namj        coes     0.25000     1.00000     1.00000     1.00000  -261.27684  -265.27912   77
 Found four species comparison        sp          en          namj        st       0.25000     1.00000     1.00000     1.00000  -261.67268  -265.27912   78
 Found four species comparison        sp          en          namj        apbo     0.25000     1.00000     1.00000     1.00000  -261.10062  -265.27912   79
 Found four species comparison        sp          en          namj        ky       0.12500     1.25000     1.00000     0.50000  -261.90876  -265.27912   80
 Found four species comparison        sp          cen         namj        qtz      0.25000     1.00000     1.00000     1.00000  -260.72862  -265.27912   81
 Found four species comparison        sp          cen         namj        coes     0.25000     1.00000     1.00000     1.00000  -261.03971  -265.27912   82
 Found four species comparison        sp          cen         namj        st       0.25000     1.00000     1.00000     1.00000  -261.43554  -265.27912   83
 Found four species comparison        sp          cen         namj        apbo     0.25000     1.00000     1.00000     1.00000  -260.86348  -265.27912   84
 Found four species comparison        sp          cen         namj        ky       0.12500     1.25000     1.00000     0.50000  -261.61234  -265.27912   85
 Found four species comparison        sp          mgc2        namj        qtz      0.25000     1.00000     1.00000     1.00000  -261.00944  -265.27912   86
 Found four species comparison        sp          mgc2        namj        coes     0.25000     1.00000     1.00000     1.00000  -261.32053  -265.27912   87
 Found four species comparison        sp          mgc2        namj        st       0.25000     1.00000     1.00000     1.00000  -261.71637  -265.27912   88
 Found four species comparison        sp          mgc2        namj        apbo     0.25000     1.00000     1.00000     1.00000  -261.14431  -265.27912   89
 Found four species comparison        sp          mgc2        namj        ky       0.12500     1.25000     1.00000     0.50000  -261.96337  -265.27912   90
 Found four species comparison        sp          mgil        namj        qtz      0.25000     2.00000     1.00000     1.00000  -260.29797  -265.27912   91
 Found four species comparison        sp          mgil        namj        coes     0.25000     2.00000     1.00000     1.00000  -260.60906  -265.27912   92
 Found four species comparison        sp          mgil        namj        st       0.25000     2.00000     1.00000     1.00000  -261.00489  -265.27912   93
 Found four species comparison        sp          mgil        namj        apbo     0.25000     2.00000     1.00000     1.00000  -260.43284  -265.27912   94
 Found four species comparison        sp          mgil        namj        ky       0.12500     2.50000     1.00000     0.50000  -261.07403  -265.27912   95
 Found four species comparison        sp          mgmj        namj        qtz      0.25000     0.50000     1.00000     1.00000  -260.93559  -265.27912   96
 Found four species comparison        sp          mgmj        namj        coes     0.25000     0.50000     1.00000     1.00000  -261.24668  -265.27912   97
 Found four species comparison        sp          mgmj        namj        st       0.25000     0.50000     1.00000     1.00000  -261.64251  -265.27912   98
 Found four species comparison        sp          mgmj        namj        apbo     0.25000     0.50000     1.00000     1.00000  -261.07046  -265.27912   99
 Found four species comparison        sp          mgmj        namj        ky       0.12500     0.62500     1.00000     0.50000  -261.85305  -265.27912  100
 Found four species comparison        sp          namj        qtz         mgpv     0.25000     1.00000     1.00000     2.00000  -259.64990  -265.27912  101
 Found four species comparison        sp          namj        qtz         mppv     0.25000     1.00000     1.00000     2.00000  -257.21942  -265.27912  102
 Found four species comparison        sp          namj        qtz         pe       0.25000     1.00000     3.00000     0.50000  -258.27569  -265.27912  103
 Found four species comparison        sp          namj        coes        mgpv     0.25000     1.00000     1.00000     2.00000  -259.96099  -265.27912  104
 Found four species comparison        sp          namj        coes        mppv     0.25000     1.00000     1.00000     2.00000  -257.53051  -265.27912  105
 Found four species comparison        sp          namj        coes        pe       0.25000     1.00000     3.00000     0.50000  -259.20896  -265.27912  106
 Found four species comparison        sp          namj        st          mgpv     0.25000     1.00000     1.00000     2.00000  -260.35682  -265.27912  107
 Found four species comparison        sp          namj        st          mppv     0.25000     1.00000     1.00000     2.00000  -257.92634  -265.27912  108
 Found four species comparison        sp          namj        st          pe       0.25000     1.00000     3.00000     0.50000  -260.39647  -265.27912  109
 Found four species comparison        sp          namj        apbo        mgpv     0.25000     1.00000     1.00000     2.00000  -259.78477  -265.27912  110
 Found four species comparison        sp          namj        apbo        mppv     0.25000     1.00000     1.00000     2.00000  -257.35428  -265.27912  111
 Found four species comparison        sp          namj        apbo        pe       0.25000     1.00000     3.00000     0.50000  -258.68030  -265.27912  112
 Found four species comparison        sp          namj        mgpv        ky       0.12500     1.00000     2.50000     0.50000  -260.26394  -265.27912  113
 Found four species comparison        sp          namj        mppv        ky       0.12500     1.00000     2.50000     0.50000  -257.22584  -265.27912  114
 Found four species comparison        fo          en          namj        ky       1.00000     0.50000     1.00000     1.00000  -261.77338  -265.27912  115
 Found four species comparison        fo          mgts        namj        qtz      1.00000     1.00000     1.00000     1.00000  -260.42428  -265.27912  116
 Found four species comparison        fo          mgts        namj        coes     1.00000     1.00000     1.00000     1.00000  -260.73537  -265.27912  117
 Found four species comparison        fo          mgts        namj        st       1.00000     1.00000     1.00000     1.00000  -261.13121  -265.27912  118
 Found four species comparison        fo          mgts        namj        apbo     1.00000     1.00000     1.00000     1.00000  -260.55915  -265.27912  119
 Found four species comparison        fo          cen         namj        ky       1.00000     0.50000     1.00000     1.00000  -261.65481  -265.27912  120
Found three species comparison        fo          jd          qtz      2.00000     2.00000     2.00000  -262.64662  -265.27912  121
Found three species comparison        fo          jd          coes     2.00000     2.00000     2.00000  -263.26880  -265.27912  122
Found three species comparison        fo          jd          st       2.00000     2.00000     2.00000  -264.06047  -265.27912  123
Found three species comparison        fo          jd          apbo     2.00000     2.00000     2.00000  -262.91636  -265.27912  124
 Found four species comparison        fo          mgc2        namj        ky       1.00000     0.50000     1.00000     1.00000  -261.79523  -265.27912  125
 Found four species comparison        fo          mgil        namj        ky       1.00000     1.00000     1.00000     1.00000  -261.43949  -265.27912  126
 Found four species comparison        fo          co          namj        qtz      1.50000     1.00000     1.00000     1.50000  -260.44705  -265.27912  127
 Found four species comparison        fo          co          namj        coes     1.50000     1.00000     1.00000     1.50000  -260.91369  -265.27912  128
 Found four species comparison        fo          co          namj        st       1.50000     1.00000     1.00000     1.50000  -261.50744  -265.27912  129
 Found four species comparison        fo          co          namj        apbo     1.50000     1.00000     1.00000     1.50000  -260.64936  -265.27912  130
 Found four species comparison        fo          mgmj        namj        ky       1.00000     0.25000     1.00000     1.00000  -261.78966  -265.27912  131
 Found four species comparison        fo          namj        qtz         alpv     1.50000     1.00000     1.50000     1.00000  -259.39216  -265.27912  132
 Found four species comparison        fo          namj        qtz         appv     1.50000     1.00000     1.50000     1.00000  -255.99652  -265.27912  133
 Found four species comparison        fo          namj        qtz         mgcf     1.00000     1.00000     2.00000     1.00000  -259.49444  -265.27912  134
 Found four species comparison        fo          namj        qtz         mnal     1.20000     0.80000     2.40000     0.40000  -259.61302  -265.27912  135
 Found four species comparison        fo          namj        qtz         ky       1.50000     1.00000     0.50000     1.00000  -261.23419  -265.27912  136
 Found four species comparison        fo          namj        coes        alpv     1.50000     1.00000     1.50000     1.00000  -259.85880  -265.27912  137
 Found four species comparison        fo          namj        coes        appv     1.50000     1.00000     1.50000     1.00000  -256.46316  -265.27912  138
 Found four species comparison        fo          namj        coes        mgcf     1.00000     1.00000     2.00000     1.00000  -260.11663  -265.27912  139
 Found four species comparison        fo          namj        coes        mnal     1.20000     0.80000     2.40000     0.40000  -260.35964  -265.27912  140
 Found four species comparison        fo          namj        coes        ky       1.50000     1.00000     0.50000     1.00000  -261.38973  -265.27912  141
 Found four species comparison        fo          namj        st          alpv     1.50000     1.00000     1.50000     1.00000  -260.45255  -265.27912  142
 Found four species comparison        fo          namj        st          appv     1.50000     1.00000     1.50000     1.00000  -257.05691  -265.27912  143
 Found four species comparison        fo          namj        st          mgcf     1.00000     1.00000     2.00000     1.00000  -260.90830  -265.27912  144
 Found four species comparison        fo          namj        st          mnal     1.20000     0.80000     2.40000     0.40000  -261.30964  -265.27912  145
 Found four species comparison        fo          namj        st          ky       1.50000     1.00000     0.50000     1.00000  -261.58765  -265.27912  146
 Found four species comparison        fo          namj        apbo        alpv     1.50000     1.00000     1.50000     1.00000  -259.59446  -265.27912  147
 Found four species comparison        fo          namj        apbo        appv     1.50000     1.00000     1.50000     1.00000  -256.19882  -265.27912  148
 Found four species comparison        fo          namj        apbo        mgcf     1.00000     1.00000     2.00000     1.00000  -259.76418  -265.27912  149
 Found four species comparison        fo          namj        apbo        mnal     1.20000     0.80000     2.40000     0.40000  -259.93671  -265.27912  150
 Found four species comparison        fo          namj        apbo        ky       1.50000     1.00000     0.50000     1.00000  -261.30162  -265.27912  151
 Found four species comparison        fo          namj        mgpv        ky       1.00000     1.00000     1.00000     1.00000  -261.11545  -265.27912  152
 Found four species comparison        fo          namj        mppv        ky       1.00000     1.00000     1.00000     1.00000  -259.90021  -265.27912  153
Found three species comparison        fo          qtz         anao     2.00000     6.00000     1.00000  -255.30267  -265.27912  154
Found three species comparison        fo          qtz         nacf     2.00000     4.00000     2.00000  -258.22204  -265.27912  155
Found three species comparison        fo          qtz         nnal     2.00000     4.00000     0.66667  -257.42374  -265.27912  156
Found three species comparison        fo          qtz         neph     2.00000     4.00000     2.00000  -255.47165  -265.27912  157
Found three species comparison        fo          coes        anao     2.00000     6.00000     1.00000  -257.16922  -265.27912  158
Found three species comparison        fo          coes        nacf     2.00000     4.00000     2.00000  -259.46641  -265.27912  159
Found three species comparison        fo          coes        nnal     2.00000     4.00000     0.66667  -258.66810  -265.27912  160
Found three species comparison        fo          coes        neph     2.00000     4.00000     2.00000  -256.71602  -265.27912  161
Found three species comparison        fo          st          anao     2.00000     6.00000     1.00000  -259.54423  -265.27912  162
Found three species comparison        fo          st          nacf     2.00000     4.00000     2.00000  -261.04975  -265.27912  163
Found three species comparison        fo          st          nnal     2.00000     4.00000     0.66667  -260.25144  -265.27912  164
Found three species comparison        fo          st          neph     2.00000     4.00000     2.00000  -258.29936  -265.27912  165
Found three species comparison        fo          apbo        anao     2.00000     6.00000     1.00000  -256.11189  -265.27912  166
Found three species comparison        fo          apbo        nacf     2.00000     4.00000     2.00000  -258.76152  -265.27912  167
Found three species comparison        fo          apbo        nnal     2.00000     4.00000     0.66667  -257.96322  -265.27912  168
Found three species comparison        fo          apbo        neph     2.00000     4.00000     2.00000  -256.01113  -265.27912  169
 Found four species comparison        mgwa        en          namj        ky       1.00000     0.50000     1.00000     1.00000  -261.72804  -265.27912  170
 Found four species comparison        mgwa        mgts        namj        qtz      1.00000     1.00000     1.00000     1.00000  -260.37894  -265.27912  171
 Found four species comparison        mgwa        mgts        namj        coes     1.00000     1.00000     1.00000     1.00000  -260.69003  -265.27912  172
 Found four species comparison        mgwa        mgts        namj        st       1.00000     1.00000     1.00000     1.00000  -261.08587  -265.27912  173
 Found four species comparison        mgwa        mgts        namj        apbo     1.00000     1.00000     1.00000     1.00000  -260.51381  -265.27912  174
 Found four species comparison        mgwa        cen         namj        ky       1.00000     0.50000     1.00000     1.00000  -261.60947  -265.27912  175
Found three species comparison        mgwa        jd          qtz      2.00000     2.00000     2.00000  -262.55594  -265.27912  176
Found three species comparison        mgwa        jd          coes     2.00000     2.00000     2.00000  -263.17812  -265.27912  177
Found three species comparison        mgwa        jd          st       2.00000     2.00000     2.00000  -263.96979  -265.27912  178
Found three species comparison        mgwa        jd          apbo     2.00000     2.00000     2.00000  -262.82568  -265.27912  179
 Found four species comparison        mgwa        mgc2        namj        ky       1.00000     0.50000     1.00000     1.00000  -261.74988  -265.27912  180
 Found four species comparison        mgwa        mgil        namj        ky       1.00000     1.00000     1.00000     1.00000  -261.39415  -265.27912  181
 Found four species comparison        mgwa        co          namj        qtz      1.50000     1.00000     1.00000     1.50000  -260.37904  -265.27912  182
 Found four species comparison        mgwa        co          namj        coes     1.50000     1.00000     1.00000     1.50000  -260.84568  -265.27912  183
 Found four species comparison        mgwa        co          namj        st       1.50000     1.00000     1.00000     1.50000  -261.43943  -265.27912  184
 Found four species comparison        mgwa        co          namj        apbo     1.50000     1.00000     1.00000     1.50000  -260.58134  -265.27912  185
 Found four species comparison        mgwa        mgmj        namj        ky       1.00000     0.25000     1.00000     1.00000  -261.74432  -265.27912  186
 Found four species comparison        mgwa        namj        qtz         alpv     1.50000     1.00000     1.50000     1.00000  -259.32415  -265.27912  187
 Found four species comparison        mgwa        namj        qtz         appv     1.50000     1.00000     1.50000     1.00000  -255.92851  -265.27912  188
 Found four species comparison        mgwa        namj        qtz         mgcf     1.00000     1.00000     2.00000     1.00000  -259.44910  -265.27912  189
 Found four species comparison        mgwa        namj        qtz         mnal     1.20000     0.80000     2.40000     0.40000  -259.55861  -265.27912  190
 Found four species comparison        mgwa        namj        qtz         ky       1.50000     1.00000     0.50000     1.00000  -261.16617  -265.27912  191
 Found four species comparison        mgwa        namj        coes        alpv     1.50000     1.00000     1.50000     1.00000  -259.79079  -265.27912  192
 Found four species comparison        mgwa        namj        coes        appv     1.50000     1.00000     1.50000     1.00000  -256.39514  -265.27912  193
 Found four species comparison        mgwa        namj        coes        mgcf     1.00000     1.00000     2.00000     1.00000  -260.07128  -265.27912  194
 Found four species comparison        mgwa        namj        coes        mnal     1.20000     0.80000     2.40000     0.40000  -260.30523  -265.27912  195
 Found four species comparison        mgwa        namj        coes        ky       1.50000     1.00000     0.50000     1.00000  -261.32172  -265.27912  196
 Found four species comparison        mgwa        namj        st          alpv     1.50000     1.00000     1.50000     1.00000  -260.38454  -265.27912  197
 Found four species comparison        mgwa        namj        st          appv     1.50000     1.00000     1.50000     1.00000  -256.98890  -265.27912  198
 Found four species comparison        mgwa        namj        st          mgcf     1.00000     1.00000     2.00000     1.00000  -260.86295  -265.27912  199
 Found four species comparison        mgwa        namj        st          mnal     1.20000     0.80000     2.40000     0.40000  -261.25523  -265.27912  200
 Found four species comparison        mgwa        namj        st          ky       1.50000     1.00000     0.50000     1.00000  -261.51964  -265.27912  201
 Found four species comparison        mgwa        namj        apbo        alpv     1.50000     1.00000     1.50000     1.00000  -259.52645  -265.27912  202
 Found four species comparison        mgwa        namj        apbo        appv     1.50000     1.00000     1.50000     1.00000  -256.13081  -265.27912  203
 Found four species comparison        mgwa        namj        apbo        mgcf     1.00000     1.00000     2.00000     1.00000  -259.71884  -265.27912  204
 Found four species comparison        mgwa        namj        apbo        mnal     1.20000     0.80000     2.40000     0.40000  -259.88230  -265.27912  205
 Found four species comparison        mgwa        namj        apbo        ky       1.50000     1.00000     0.50000     1.00000  -261.23361  -265.27912  206
 Found four species comparison        mgwa        namj        mgpv        ky       1.00000     1.00000     1.00000     1.00000  -261.07011  -265.27912  207
 Found four species comparison        mgwa        namj        mppv        ky       1.00000     1.00000     1.00000     1.00000  -259.85487  -265.27912  208
Found three species comparison        mgwa        qtz         anao     2.00000     6.00000     1.00000  -255.21199  -265.27912  209
Found three species comparison        mgwa        qtz         nacf     2.00000     4.00000     2.00000  -258.13136  -265.27912  210
Found three species comparison        mgwa        qtz         nnal     2.00000     4.00000     0.66667  -257.33305  -265.27912  211
Found three species comparison        mgwa        qtz         neph     2.00000     4.00000     2.00000  -255.38097  -265.27912  212
Found three species comparison        mgwa        coes        anao     2.00000     6.00000     1.00000  -257.07854  -265.27912  213
Found three species comparison        mgwa        coes        nacf     2.00000     4.00000     2.00000  -259.37572  -265.27912  214
Found three species comparison        mgwa        coes        nnal     2.00000     4.00000     0.66667  -258.57742  -265.27912  215
Found three species comparison        mgwa        coes        neph     2.00000     4.00000     2.00000  -256.62533  -265.27912  216
Found three species comparison        mgwa        st          anao     2.00000     6.00000     1.00000  -259.45354  -265.27912  217
Found three species comparison        mgwa        st          nacf     2.00000     4.00000     2.00000  -260.95906  -265.27912  218
Found three species comparison        mgwa        st          nnal     2.00000     4.00000     0.66667  -260.16076  -265.27912  219
Found three species comparison        mgwa        st          neph     2.00000     4.00000     2.00000  -258.20867  -265.27912  220
Found three species comparison        mgwa        apbo        anao     2.00000     6.00000     1.00000  -256.02120  -265.27912  221
Found three species comparison        mgwa        apbo        nacf     2.00000     4.00000     2.00000  -258.67084  -265.27912  222
Found three species comparison        mgwa        apbo        nnal     2.00000     4.00000     0.66667  -257.87253  -265.27912  223
Found three species comparison        mgwa        apbo        neph     2.00000     4.00000     2.00000  -255.92045  -265.27912  224
 Found four species comparison        mgri        en          namj        ky       1.00000     0.50000     1.00000     1.00000  -261.58466  -265.27912  225
 Found four species comparison        mgri        mgts        namj        qtz      1.00000     1.00000     1.00000     1.00000  -260.23556  -265.27912  226
 Found four species comparison        mgri        mgts        namj        coes     1.00000     1.00000     1.00000     1.00000  -260.54665  -265.27912  227
 Found four species comparison        mgri        mgts        namj        st       1.00000     1.00000     1.00000     1.00000  -260.94248  -265.27912  228
 Found four species comparison        mgri        mgts        namj        apbo     1.00000     1.00000     1.00000     1.00000  -260.37043  -265.27912  229
 Found four species comparison        mgri        cen         namj        ky       1.00000     0.50000     1.00000     1.00000  -261.46609  -265.27912  230
Found three species comparison        mgri        jd          qtz      2.00000     2.00000     2.00000  -262.26917  -265.27912  231
Found three species comparison        mgri        jd          coes     2.00000     2.00000     2.00000  -262.89136  -265.27912  232
Found three species comparison        mgri        jd          st       2.00000     2.00000     2.00000  -263.68303  -265.27912  233
Found three species comparison        mgri        jd          apbo     2.00000     2.00000     2.00000  -262.53891  -265.27912  234
 Found four species comparison        mgri        mgc2        namj        ky       1.00000     0.50000     1.00000     1.00000  -261.60650  -265.27912  235
 Found four species comparison        mgri        mgil        namj        ky       1.00000     1.00000     1.00000     1.00000  -261.25076  -265.27912  236
 Found four species comparison        mgri        co          namj        qtz      1.50000     1.00000     1.00000     1.50000  -260.16397  -265.27912  237
 Found four species comparison        mgri        co          namj        coes     1.50000     1.00000     1.00000     1.50000  -260.63060  -265.27912  238
 Found four species comparison        mgri        co          namj        st       1.50000     1.00000     1.00000     1.50000  -261.22436  -265.27912  239
 Found four species comparison        mgri        co          namj        apbo     1.50000     1.00000     1.00000     1.50000  -260.36627  -265.27912  240
 Found four species comparison        mgri        mgmj        namj        ky       1.00000     0.25000     1.00000     1.00000  -261.60094  -265.27912  241
 Found four species comparison        mgri        namj        qtz         alpv     1.50000     1.00000     1.50000     1.00000  -259.10908  -265.27912  242
 Found four species comparison        mgri        namj        qtz         appv     1.50000     1.00000     1.50000     1.00000  -255.71343  -265.27912  243
 Found four species comparison        mgri        namj        qtz         mgcf     1.00000     1.00000     2.00000     1.00000  -259.30572  -265.27912  244
 Found four species comparison        mgri        namj        qtz         mnal     1.20000     0.80000     2.40000     0.40000  -259.38655  -265.27912  245
 Found four species comparison        mgri        namj        qtz         ky       1.50000     1.00000     0.50000     1.00000  -260.95110  -265.27912  246
 Found four species comparison        mgri        namj        coes        alpv     1.50000     1.00000     1.50000     1.00000  -259.57571  -265.27912  247
 Found four species comparison        mgri        namj        coes        appv     1.50000     1.00000     1.50000     1.00000  -256.18007  -265.27912  248
 Found four species comparison        mgri        namj        coes        mgcf     1.00000     1.00000     2.00000     1.00000  -259.92790  -265.27912  249
 Found four species comparison        mgri        namj        coes        mnal     1.20000     0.80000     2.40000     0.40000  -260.13317  -265.27912  250
 Found four species comparison        mgri        namj        coes        ky       1.50000     1.00000     0.50000     1.00000  -261.10665  -265.27912  251
 Found four species comparison        mgri        namj        st          alpv     1.50000     1.00000     1.50000     1.00000  -260.16947  -265.27912  252
 Found four species comparison        mgri        namj        st          appv     1.50000     1.00000     1.50000     1.00000  -256.77382  -265.27912  253
 Found four species comparison        mgri        namj        st          mgcf     1.00000     1.00000     2.00000     1.00000  -260.71957  -265.27912  254
 Found four species comparison        mgri        namj        st          mnal     1.20000     0.80000     2.40000     0.40000  -261.08318  -265.27912  255
 Found four species comparison        mgri        namj        st          ky       1.50000     1.00000     0.50000     1.00000  -261.30456  -265.27912  256
 Found four species comparison        mgri        namj        apbo        alpv     1.50000     1.00000     1.50000     1.00000  -259.31138  -265.27912  257
 Found four species comparison        mgri        namj        apbo        appv     1.50000     1.00000     1.50000     1.00000  -255.91574  -265.27912  258
 Found four species comparison        mgri        namj        apbo        mgcf     1.00000     1.00000     2.00000     1.00000  -259.57546  -265.27912  259
 Found four species comparison        mgri        namj        apbo        mnal     1.20000     0.80000     2.40000     0.40000  -259.71024  -265.27912  260
 Found four species comparison        mgri        namj        apbo        ky       1.50000     1.00000     0.50000     1.00000  -261.01854  -265.27912  261
 Found four species comparison        mgri        namj        mgpv        ky       1.00000     1.00000     1.00000     1.00000  -260.92673  -265.27912  262
 Found four species comparison        mgri        namj        mppv        ky       1.00000     1.00000     1.00000     1.00000  -259.71149  -265.27912  263
Found three species comparison        mgri        qtz         anao     2.00000     6.00000     1.00000  -254.92522  -265.27912  264
Found three species comparison        mgri        qtz         nacf     2.00000     4.00000     2.00000  -257.84460  -265.27912  265
Found three species comparison        mgri        qtz         nnal     2.00000     4.00000     0.66667  -257.04629  -265.27912  266
Found three species comparison        mgri        qtz         neph     2.00000     4.00000     2.00000  -255.09420  -265.27912  267
Found three species comparison        mgri        coes        anao     2.00000     6.00000     1.00000  -256.79177  -265.27912  268
Found three species comparison        mgri        coes        nacf     2.00000     4.00000     2.00000  -259.08896  -265.27912  269
Found three species comparison        mgri        coes        nnal     2.00000     4.00000     0.66667  -258.29066  -265.27912  270
Found three species comparison        mgri        coes        neph     2.00000     4.00000     2.00000  -256.33857  -265.27912  271
Found three species comparison        mgri        st          anao     2.00000     6.00000     1.00000  -259.16678  -265.27912  272
Found three species comparison        mgri        st          nacf     2.00000     4.00000     2.00000  -260.67230  -265.27912  273
Found three species comparison        mgri        st          nnal     2.00000     4.00000     0.66667  -259.87400  -265.27912  274
Found three species comparison        mgri        st          neph     2.00000     4.00000     2.00000  -257.92191  -265.27912  275
Found three species comparison        mgri        apbo        anao     2.00000     6.00000     1.00000  -255.73444  -265.27912  276
Found three species comparison        mgri        apbo        nacf     2.00000     4.00000     2.00000  -258.38407  -265.27912  277
Found three species comparison        mgri        apbo        nnal     2.00000     4.00000     0.66667  -257.58577  -265.27912  278
Found three species comparison        mgri        apbo        neph     2.00000     4.00000     2.00000  -255.63368  -265.27912  279
Found three species comparison        en          mgts        namj     1.00000     1.00000     1.00000  -262.02798  -265.27912  280
  Found two species comparison        en          jd       2.00000     2.00000  -264.80340  -265.27912  281
Found three species comparison        en          co          namj     1.50000     1.00000     1.00000  -262.06464  -265.27912  282
 Found four species comparison        en          namj        qtz         mgcf     1.00000     1.00000     1.00000     1.00000  -260.57283  -265.27912  283
 Found four species comparison        en          namj        qtz         mnal     1.20000     0.80000     1.20000     0.40000  -260.90709  -265.27912  284
 Found four species comparison        en          namj        coes        mgcf     1.00000     1.00000     1.00000     1.00000  -260.88392  -265.27912  285
 Found four species comparison        en          namj        coes        mnal     1.20000     0.80000     1.20000     0.40000  -261.28040  -265.27912  286
 Found four species comparison        en          namj        st          mgcf     1.00000     1.00000     1.00000     1.00000  -261.27976  -265.27912  287
 Found four species comparison        en          namj        st          mnal     1.20000     0.80000     1.20000     0.40000  -261.75540  -265.27912  288
 Found four species comparison        en          namj        apbo        mgcf     1.00000     1.00000     1.00000     1.00000  -260.70770  -265.27912  289
 Found four species comparison        en          namj        apbo        mnal     1.20000     0.80000     1.20000     0.40000  -261.06893  -265.27912  290
Found three species comparison        en          namj        alpv     1.50000     1.00000     1.00000  -261.00975  -265.27912  291
Found three species comparison        en          namj        appv     1.50000     1.00000     1.00000  -257.61410  -265.27912  292
 Found four species comparison        en          namj        pe          ky       1.00000     1.00000     0.25000     1.00000  -261.50674  -265.27912  293
 Found four species comparison        en          namj        anao        ky       1.60000     0.80000     0.20000     0.80000  -261.77331  -265.27912  294
 Found four species comparison        en          namj        mgcf        ky       1.25000     1.00000     0.50000     0.50000  -261.71230  -265.27912  295
 Found four species comparison        en          namj        nacf        ky       1.66667     0.66667     0.66667     0.66667  -262.02745  -265.27912  296
 Found four species comparison        en          namj        mnal        ky       1.36364     0.90909     0.18182     0.54545  -261.96782  -265.27912  297
 Found four species comparison        en          namj        nnal        ky       1.66667     0.66667     0.22222     0.66667  -261.76135  -265.27912  298
 Found four species comparison        en          namj        ky          neph     1.66667     0.66667     0.66667     0.66667  -261.11066  -265.27912  299
Found three species comparison        en          qtz         anao     2.00000     4.00000     1.00000  -257.45945  -265.27912  300
Found three species comparison        en          qtz         nacf     2.00000     2.00000     2.00000  -260.37882  -265.27912  301
Found three species comparison        en          qtz         nnal     2.00000     2.00000     0.66667  -259.58052  -265.27912  302
Found three species comparison        en          qtz         neph     2.00000     2.00000     2.00000  -257.62843  -265.27912  303
Found three species comparison        en          coes        anao     2.00000     4.00000     1.00000  -258.70382  -265.27912  304
Found three species comparison        en          coes        nacf     2.00000     2.00000     2.00000  -261.00101  -265.27912  305
Found three species comparison        en          coes        nnal     2.00000     2.00000     0.66667  -260.20270  -265.27912  306
Found three species comparison        en          coes        neph     2.00000     2.00000     2.00000  -258.25062  -265.27912  307
Found three species comparison        en          st          anao     2.00000     4.00000     1.00000  -260.28716  -265.27912  308
Found three species comparison        en          st          nacf     2.00000     2.00000     2.00000  -261.79268  -265.27912  309
Found three species comparison        en          st          nnal     2.00000     2.00000     0.66667  -260.99437  -265.27912  310
Found three species comparison        en          st          neph     2.00000     2.00000     2.00000  -259.04229  -265.27912  311
Found three species comparison        en          apbo        anao     2.00000     4.00000     1.00000  -257.99893  -265.27912  312
Found three species comparison        en          apbo        nacf     2.00000     2.00000     2.00000  -260.64856  -265.27912  313
Found three species comparison        en          apbo        nnal     2.00000     2.00000     0.66667  -259.85026  -265.27912  314
Found three species comparison        en          apbo        neph     2.00000     2.00000     2.00000  -257.89817  -265.27912  315
Found three species comparison        mgts        cen         namj     1.00000     1.00000     1.00000  -261.26553  -265.27912  316
Found three species comparison        mgts        mgc2        namj     1.00000     1.00000     1.00000  -261.54636  -265.27912  317
Found three species comparison        mgts        mgil        namj     1.00000     2.00000     1.00000  -260.83489  -265.27912  318
Found three species comparison        mgts        mgmj        namj     1.00000     0.50000     1.00000  -261.47251  -265.27912  319
 Found four species comparison        mgts        namj        qtz         pe       1.00000     1.00000     2.00000     0.50000  -258.81261  -265.27912  320
 Found four species comparison        mgts        namj        coes        pe       1.00000     1.00000     2.00000     0.50000  -259.43479  -265.27912  321
 Found four species comparison        mgts        namj        st          pe       1.00000     1.00000     2.00000     0.50000  -260.22646  -265.27912  322
 Found four species comparison        mgts        namj        apbo        pe       1.00000     1.00000     2.00000     0.50000  -259.08235  -265.27912  323
Found three species comparison        mgts        namj        mgpv     1.00000     1.00000     2.00000  -260.18682  -265.27912  324
Found three species comparison        mgts        namj        mppv     1.00000     1.00000     2.00000  -257.75633  -265.27912  325
  Found two species comparison        cen         jd       2.00000     2.00000  -265.27922  -265.27912  326
Found three species comparison        cen         co          namj     1.50000     1.00000     1.00000  -261.70893  -265.27912  327
 Found four species comparison        cen         namj        qtz         mgcf     1.00000     1.00000     1.00000     1.00000  -260.33570  -265.27912  328
 Found four species comparison        cen         namj        qtz         mnal     1.20000     0.80000     1.20000     0.40000  -260.62252  -265.27912  329
 Found four species comparison        cen         namj        coes        mgcf     1.00000     1.00000     1.00000     1.00000  -260.64679  -265.27912  330
 Found four species comparison        cen         namj        coes        mnal     1.20000     0.80000     1.20000     0.40000  -260.99583  -265.27912  331
 Found four species comparison        cen         namj        st          mgcf     1.00000     1.00000     1.00000     1.00000  -261.04262  -265.27912  332
 Found four species comparison        cen         namj        st          mnal     1.20000     0.80000     1.20000     0.40000  -261.47084  -265.27912  333
 Found four species comparison        cen         namj        apbo        mgcf     1.00000     1.00000     1.00000     1.00000  -260.47057  -265.27912  334
 Found four species comparison        cen         namj        apbo        mnal     1.20000     0.80000     1.20000     0.40000  -260.78437  -265.27912  335
Found three species comparison        cen         namj        alpv     1.50000     1.00000     1.00000  -260.65404  -265.27912  336
Found three species comparison        cen         namj        appv     1.50000     1.00000     1.00000  -257.25840  -265.27912  337
 Found four species comparison        cen         namj        pe          ky       1.00000     1.00000     0.25000     1.00000  -261.26960  -265.27912  338
 Found four species comparison        cen         namj        anao        ky       1.60000     0.80000     0.20000     0.80000  -261.39389  -265.27912  339
 Found four species comparison        cen         namj        mgcf        ky       1.25000     1.00000     0.50000     0.50000  -261.41588  -265.27912  340
 Found four species comparison        cen         namj        nacf        ky       1.66667     0.66667     0.66667     0.66667  -261.63223  -265.27912  341
 Found four species comparison        cen         namj        mnal        ky       1.36364     0.90909     0.18182     0.54545  -261.64446  -265.27912  342
 Found four species comparison        cen         namj        nnal        ky       1.66667     0.66667     0.22222     0.66667  -261.36612  -265.27912  343
 Found four species comparison        cen         namj        ky          neph     1.66667     0.66667     0.66667     0.66667  -260.71543  -265.27912  344
Found three species comparison        cen         qtz         anao     2.00000     4.00000     1.00000  -256.98517  -265.27912  345
Found three species comparison        cen         qtz         nacf     2.00000     2.00000     2.00000  -259.90455  -265.27912  346
Found three species comparison        cen         qtz         nnal     2.00000     2.00000     0.66667  -259.10624  -265.27912  347
Found three species comparison        cen         qtz         neph     2.00000     2.00000     2.00000  -257.15416  -265.27912  348
Found three species comparison        cen         coes        anao     2.00000     4.00000     1.00000  -258.22954  -265.27912  349
Found three species comparison        cen         coes        nacf     2.00000     2.00000     2.00000  -260.52673  -265.27912  350
Found three species comparison        cen         coes        nnal     2.00000     2.00000     0.66667  -259.72843  -265.27912  351
Found three species comparison        cen         coes        neph     2.00000     2.00000     2.00000  -257.77634  -265.27912  352
Found three species comparison        cen         st          anao     2.00000     4.00000     1.00000  -259.81288  -265.27912  353
Found three species comparison        cen         st          nacf     2.00000     2.00000     2.00000  -261.31840  -265.27912  354
Found three species comparison        cen         st          nnal     2.00000     2.00000     0.66667  -260.52010  -265.27912  355
Found three species comparison        cen         st          neph     2.00000     2.00000     2.00000  -258.56801  -265.27912  356
Found three species comparison        cen         apbo        anao     2.00000     4.00000     1.00000  -257.52465  -265.27912  357
Found three species comparison        cen         apbo        nacf     2.00000     2.00000     2.00000  -260.17429  -265.27912  358
Found three species comparison        cen         apbo        nnal     2.00000     2.00000     0.66667  -259.37598  -265.27912  359
Found three species comparison        cen         apbo        neph     2.00000     2.00000     2.00000  -257.42390  -265.27912  360
  Found two species comparison        jd          mgc2     2.00000     2.00000  -264.89078  -265.27912  361
  Found two species comparison        jd          mgil     2.00000     4.00000  -263.46783  -265.27912  362
  Found two species comparison        jd          mgmj     2.00000     1.00000  -264.30517  -265.27912  363
Found three species comparison        jd          qtz         pe       2.00000     4.00000     1.00000  -259.42328  -265.27912  364
Found three species comparison        jd          coes        pe       2.00000     4.00000     1.00000  -260.66764  -265.27912  365
Found three species comparison        jd          st          pe       2.00000     4.00000     1.00000  -262.25098  -265.27912  366
Found three species comparison        jd          apbo        pe       2.00000     4.00000     1.00000  -259.96275  -265.27912  367
  Found two species comparison        jd          mgpv     2.00000     4.00000  -262.17169  -265.27912  368
  Found two species comparison        jd          mppv     2.00000     4.00000  -257.31073  -265.27912  369
Found three species comparison        mgc2        co          namj     1.50000     1.00000     1.00000  -262.13017  -265.27912  370
 Found four species comparison        mgc2        namj        qtz         mgcf     1.00000     1.00000     1.00000     1.00000  -260.61652  -265.27912  371
 Found four species comparison        mgc2        namj        qtz         mnal     1.20000     0.80000     1.20000     0.40000  -260.95952  -265.27912  372
 Found four species comparison        mgc2        namj        coes        mgcf     1.00000     1.00000     1.00000     1.00000  -260.92761  -265.27912  373
 Found four species comparison        mgc2        namj        coes        mnal     1.20000     0.80000     1.20000     0.40000  -261.33283  -265.27912  374
 Found four species comparison        mgc2        namj        st          mgcf     1.00000     1.00000     1.00000     1.00000  -261.32345  -265.27912  375
 Found four species comparison        mgc2        namj        st          mnal     1.20000     0.80000     1.20000     0.40000  -261.80783  -265.27912  376
 Found four species comparison        mgc2        namj        apbo        mgcf     1.00000     1.00000     1.00000     1.00000  -260.75139  -265.27912  377
 Found four species comparison        mgc2        namj        apbo        mnal     1.20000     0.80000     1.20000     0.40000  -261.12136  -265.27912  378
Found three species comparison        mgc2        namj        alpv     1.50000     1.00000     1.00000  -261.07528  -265.27912  379
Found three species comparison        mgc2        namj        appv     1.50000     1.00000     1.00000  -257.67964  -265.27912  380
 Found four species comparison        mgc2        namj        pe          ky       1.00000     1.00000     0.25000     1.00000  -261.55043  -265.27912  381
 Found four species comparison        mgc2        namj        anao        ky       1.60000     0.80000     0.20000     0.80000  -261.84321  -265.27912  382
 Found four species comparison        mgc2        namj        mgcf        ky       1.25000     1.00000     0.50000     0.50000  -261.76691  -265.27912  383
 Found four species comparison        mgc2        namj        nacf        ky       1.66667     0.66667     0.66667     0.66667  -262.10027  -265.27912  384
 Found four species comparison        mgc2        namj        mnal        ky       1.36364     0.90909     0.18182     0.54545  -262.02740  -265.27912  385
 Found four species comparison        mgc2        namj        nnal        ky       1.66667     0.66667     0.22222     0.66667  -261.83417  -265.27912  386
 Found four species comparison        mgc2        namj        ky          neph     1.66667     0.66667     0.66667     0.66667  -261.18348  -265.27912  387
Found three species comparison        mgc2        qtz         anao     2.00000     4.00000     1.00000  -257.54683  -265.27912  388
Found three species comparison        mgc2        qtz         nacf     2.00000     2.00000     2.00000  -260.46620  -265.27912  389
Found three species comparison        mgc2        qtz         nnal     2.00000     2.00000     0.66667  -259.66790  -265.27912  390
Found three species comparison        mgc2        qtz         neph     2.00000     2.00000     2.00000  -257.71581  -265.27912  391
Found three species comparison        mgc2        coes        anao     2.00000     4.00000     1.00000  -258.79120  -265.27912  392
Found three species comparison        mgc2        coes        nacf     2.00000     2.00000     2.00000  -261.08839  -265.27912  393
Found three species comparison        mgc2        coes        nnal     2.00000     2.00000     0.66667  -260.29008  -265.27912  394
Found three species comparison        mgc2        coes        neph     2.00000     2.00000     2.00000  -258.33800  -265.27912  395
Found three species comparison        mgc2        st          anao     2.00000     4.00000     1.00000  -260.37454  -265.27912  396
Found three species comparison        mgc2        st          nacf     2.00000     2.00000     2.00000  -261.88006  -265.27912  397
Found three species comparison        mgc2        st          nnal     2.00000     2.00000     0.66667  -261.08175  -265.27912  398
Found three species comparison        mgc2        st          neph     2.00000     2.00000     2.00000  -259.12967  -265.27912  399
Found three species comparison        mgc2        apbo        anao     2.00000     4.00000     1.00000  -258.08631  -265.27912  400
Found three species comparison        mgc2        apbo        nacf     2.00000     2.00000     2.00000  -260.73594  -265.27912  401
Found three species comparison        mgc2        apbo        nnal     2.00000     2.00000     0.66667  -259.93764  -265.27912  402
Found three species comparison        mgc2        apbo        neph     2.00000     2.00000     2.00000  -257.98555  -265.27912  403
Found three species comparison        mgil        co          namj     3.00000     1.00000     1.00000  -261.65486  -265.27912  404
 Found four species comparison        mgil        namj        qtz         mgcf     2.00000     1.00000     1.00000     1.00000  -259.90505  -265.27912  405
 Found four species comparison        mgil        namj        qtz         mnal     2.40000     0.80000     1.20000     0.40000  -260.10575  -265.27912  406
 Found four species comparison        mgil        namj        coes        mgcf     2.00000     1.00000     1.00000     1.00000  -260.21614  -265.27912  407
 Found four species comparison        mgil        namj        coes        mnal     2.40000     0.80000     1.20000     0.40000  -260.47906  -265.27912  408
 Found four species comparison        mgil        namj        st          mgcf     2.00000     1.00000     1.00000     1.00000  -260.61197  -265.27912  409
 Found four species comparison        mgil        namj        st          mnal     2.40000     0.80000     1.20000     0.40000  -260.95406  -265.27912  410
 Found four species comparison        mgil        namj        apbo        mgcf     2.00000     1.00000     1.00000     1.00000  -260.03992  -265.27912  411
 Found four species comparison        mgil        namj        apbo        mnal     2.40000     0.80000     1.20000     0.40000  -260.26759  -265.27912  412
Found three species comparison        mgil        namj        alpv     3.00000     1.00000     1.00000  -260.00807  -265.27912  413
Found three species comparison        mgil        namj        appv     3.00000     1.00000     1.00000  -256.61243  -265.27912  414
 Found four species comparison        mgil        namj        pe          ky       2.00000     1.00000     0.25000     1.00000  -260.83895  -265.27912  415
 Found four species comparison        mgil        namj        anao        ky       3.20000     0.80000     0.20000     0.80000  -260.70485  -265.27912  416
 Found four species comparison        mgil        namj        mgcf        ky       2.50000     1.00000     0.50000     0.50000  -260.87757  -265.27912  417
 Found four species comparison        mgil        namj        nacf        ky       3.33333     0.66667     0.66667     0.66667  -260.91448  -265.27912  418
 Found four species comparison        mgil        namj        mnal        ky       2.72727     0.90909     0.18182     0.54545  -261.05721  -265.27912  419
 Found four species comparison        mgil        namj        nnal        ky       3.33333     0.66667     0.22222     0.66667  -260.64838  -265.27912  420
 Found four species comparison        mgil        namj        ky          neph     3.33333     0.66667     0.66667     0.66667  -259.99768  -265.27912  421
Found three species comparison        mgil        qtz         anao     4.00000     4.00000     1.00000  -256.12388  -265.27912  422
Found three species comparison        mgil        qtz         nacf     4.00000     2.00000     2.00000  -259.04325  -265.27912  423
Found three species comparison        mgil        qtz         nnal     4.00000     2.00000     0.66667  -258.24495  -265.27912  424
Found three species comparison        mgil        qtz         neph     4.00000     2.00000     2.00000  -256.29286  -265.27912  425
Found three species comparison        mgil        coes        anao     4.00000     4.00000     1.00000  -257.36824  -265.27912  426
Found three species comparison        mgil        coes        nacf     4.00000     2.00000     2.00000  -259.66543  -265.27912  427
Found three species comparison        mgil        coes        nnal     4.00000     2.00000     0.66667  -258.86713  -265.27912  428
Found three species comparison        mgil        coes        neph     4.00000     2.00000     2.00000  -256.91504  -265.27912  429
Found three species comparison        mgil        st          anao     4.00000     4.00000     1.00000  -258.95158  -265.27912  430
Found three species comparison        mgil        st          nacf     4.00000     2.00000     2.00000  -260.45710  -265.27912  431
Found three species comparison        mgil        st          nnal     4.00000     2.00000     0.66667  -259.65880  -265.27912  432
Found three species comparison        mgil        st          neph     4.00000     2.00000     2.00000  -257.70671  -265.27912  433
Found three species comparison        mgil        apbo        anao     4.00000     4.00000     1.00000  -256.66336  -265.27912  434
Found three species comparison        mgil        apbo        nacf     4.00000     2.00000     2.00000  -259.31299  -265.27912  435
Found three species comparison        mgil        apbo        nnal     4.00000     2.00000     0.66667  -258.51469  -265.27912  436
Found three species comparison        mgil        apbo        neph     4.00000     2.00000     2.00000  -256.56260  -265.27912  437
Found three species comparison        co          mgmj        namj     1.00000     0.75000     1.00000  -261.98282  -265.27912  438
 Found four species comparison        co          namj        qtz         pe       1.00000     1.00000     3.00000     0.75000  -258.02954  -265.27912  439
 Found four species comparison        co          namj        coes        pe       1.00000     1.00000     3.00000     0.75000  -258.96282  -265.27912  440
 Found four species comparison        co          namj        st          pe       1.00000     1.00000     3.00000     0.75000  -260.15032  -265.27912  441
 Found four species comparison        co          namj        apbo        pe       1.00000     1.00000     3.00000     0.75000  -258.43415  -265.27912  442
Found three species comparison        co          namj        mgpv     1.00000     1.00000     3.00000  -260.09085  -265.27912  443
Found three species comparison        co          namj        mppv     1.00000     1.00000     3.00000  -256.44513  -265.27912  444
  Found two species comparison        py          namj     1.00000     1.00000  -265.27912  -265.27912  445
 Found four species comparison        mgmj        namj        qtz         mgcf     0.50000     1.00000     1.00000     1.00000  -260.54267  -265.27912  446
 Found four species comparison        mgmj        namj        qtz         mnal     0.60000     0.80000     1.20000     0.40000  -260.84164  -265.27912  447
 Found four species comparison        mgmj        namj        coes        mgcf     0.50000     1.00000     1.00000     1.00000  -260.85376  -265.27912  448
 Found four species comparison        mgmj        namj        coes        mnal     0.60000     0.80000     1.20000     0.40000  -261.21495  -265.27912  449
 Found four species comparison        mgmj        namj        st          mgcf     0.50000     1.00000     1.00000     1.00000  -261.24959  -265.27912  450
 Found four species comparison        mgmj        namj        st          mnal     0.60000     0.80000     1.20000     0.40000  -261.68995  -265.27912  451
 Found four species comparison        mgmj        namj        apbo        mgcf     0.50000     1.00000     1.00000     1.00000  -260.67754  -265.27912  452
 Found four species comparison        mgmj        namj        apbo        mnal     0.60000     0.80000     1.20000     0.40000  -261.00348  -265.27912  453
Found three species comparison        mgmj        namj        alpv     0.75000     1.00000     1.00000  -260.92793  -265.27912  454
Found three species comparison        mgmj        namj        appv     0.75000     1.00000     1.00000  -257.53229  -265.27912  455
 Found four species comparison        mgmj        namj        pe          ky       0.50000     1.00000     0.25000     1.00000  -261.47657  -265.27912  456
 Found four species comparison        mgmj        namj        anao        ky       0.80000     0.80000     0.20000     0.80000  -261.66505  -265.27912  457
 Found four species comparison        mgmj        namj        mgcf        ky       0.62500     1.00000     0.50000     0.50000  -261.65659  -265.27912  458
 Found four species comparison        mgmj        namj        nacf        ky       0.83333     0.66667     0.66667     0.66667  -261.90028  -265.27912  459
 Found four species comparison        mgmj        namj        mnal        ky       0.68182     0.90909     0.18182     0.54545  -261.89345  -265.27912  460
 Found four species comparison        mgmj        namj        nnal        ky       0.83333     0.66667     0.22222     0.66667  -261.63418  -265.27912  461
 Found four species comparison        mgmj        namj        ky          neph     0.83333     0.66667     0.66667     0.66667  -260.98349  -265.27912  462
Found three species comparison        mgmj        qtz         anao     1.00000     4.00000     1.00000  -256.96122  -265.27912  463
Found three species comparison        mgmj        qtz         nacf     1.00000     2.00000     2.00000  -259.88059  -265.27912  464
Found three species comparison        mgmj        qtz         nnal     1.00000     2.00000     0.66667  -259.08229  -265.27912  465
Found three species comparison        mgmj        qtz         neph     1.00000     2.00000     2.00000  -257.13020  -265.27912  466
Found three species comparison        mgmj        coes        anao     1.00000     4.00000     1.00000  -258.20558  -265.27912  467
Found three species comparison        mgmj        coes        nacf     1.00000     2.00000     2.00000  -260.50277  -265.27912  468
Found three species comparison        mgmj        coes        nnal     1.00000     2.00000     0.66667  -259.70447  -265.27912  469
Found three species comparison        mgmj        coes        neph     1.00000     2.00000     2.00000  -257.75238  -265.27912  470
Found three species comparison        mgmj        st          anao     1.00000     4.00000     1.00000  -259.78892  -265.27912  471
Found three species comparison        mgmj        st          nacf     1.00000     2.00000     2.00000  -261.29444  -265.27912  472
Found three species comparison        mgmj        st          nnal     1.00000     2.00000     0.66667  -260.49614  -265.27912  473
Found three species comparison        mgmj        st          neph     1.00000     2.00000     2.00000  -258.54405  -265.27912  474
Found three species comparison        mgmj        apbo        anao     1.00000     4.00000     1.00000  -257.50070  -265.27912  475
Found three species comparison        mgmj        apbo        nacf     1.00000     2.00000     2.00000  -260.15033  -265.27912  476
Found three species comparison        mgmj        apbo        nnal     1.00000     2.00000     0.66667  -259.35203  -265.27912  477
Found three species comparison        mgmj        apbo        neph     1.00000     2.00000     2.00000  -257.39994  -265.27912  478
 Found four species comparison        namj        qtz         mgpv        mgcf     1.00000     1.00000     2.00000     1.00000  -259.25698  -265.27912  479
 Found four species comparison        namj        qtz         mgpv        mnal     0.80000     1.20000     2.40000     0.40000  -259.32806  -265.27912  480
 Found four species comparison        namj        qtz         alpv        pe       1.00000     3.00000     1.00000     0.75000  -256.97465  -265.27912  481
 Found four species comparison        namj        qtz         mppv        mgcf     1.00000     1.00000     2.00000     1.00000  -256.82650  -265.27912  482
 Found four species comparison        namj        qtz         mppv        mnal     0.80000     1.20000     2.40000     0.40000  -256.41148  -265.27912  483
 Found four species comparison        namj        qtz         appv        pe       1.00000     3.00000     1.00000     0.75000  -253.57901  -265.27912  484
 Found four species comparison        namj        qtz         pe          mgcf     1.00000     3.00000     0.50000     1.00000  -257.88277  -265.27912  485
 Found four species comparison        namj        qtz         pe          mnal     0.80000     3.60000     0.60000     0.40000  -257.67901  -265.27912  486
 Found four species comparison        namj        qtz         pe          ky       1.00000     2.00000     0.75000     1.00000  -258.81668  -265.27912  487
 Found four species comparison        namj        coes        mgpv        mgcf     1.00000     1.00000     2.00000     1.00000  -259.56807  -265.27912  488
 Found four species comparison        namj        coes        mgpv        mnal     0.80000     1.20000     2.40000     0.40000  -259.70137  -265.27912  489
 Found four species comparison        namj        coes        alpv        pe       1.00000     3.00000     1.00000     0.75000  -257.90793  -265.27912  490
 Found four species comparison        namj        coes        mppv        mgcf     1.00000     1.00000     2.00000     1.00000  -257.13759  -265.27912  491
 Found four species comparison        namj        coes        mppv        mnal     0.80000     1.20000     2.40000     0.40000  -256.78479  -265.27912  492
 Found four species comparison        namj        coes        appv        pe       1.00000     3.00000     1.00000     0.75000  -254.51228  -265.27912  493
 Found four species comparison        namj        coes        pe          mgcf     1.00000     3.00000     0.50000     1.00000  -258.81604  -265.27912  494
 Found four species comparison        namj        coes        pe          mnal     0.80000     3.60000     0.60000     0.40000  -258.79894  -265.27912  495
 Found four species comparison        namj        coes        pe          ky       1.00000     2.00000     0.75000     1.00000  -259.43886  -265.27912  496
 Found four species comparison        namj        st          mgpv        mgcf     1.00000     1.00000     2.00000     1.00000  -259.96390  -265.27912  497
 Found four species comparison        namj        st          mgpv        mnal     0.80000     1.20000     2.40000     0.40000  -260.17637  -265.27912  498
 Found four species comparison        namj        st          alpv        pe       1.00000     3.00000     1.00000     0.75000  -259.09543  -265.27912  499
 Found four species comparison        namj        st          mppv        mgcf     1.00000     1.00000     2.00000     1.00000  -257.53342  -265.27912  500
 Found four species comparison        namj        st          mppv        mnal     0.80000     1.20000     2.40000     0.40000  -257.25980  -265.27912  501
 Found four species comparison        namj        st          appv        pe       1.00000     3.00000     1.00000     0.75000  -255.69979  -265.27912  502
 Found four species comparison        namj        st          pe          mgcf     1.00000     3.00000     0.50000     1.00000  -260.00355  -265.27912  503
 Found four species comparison        namj        st          pe          mnal     0.80000     3.60000     0.60000     0.40000  -260.22395  -265.27912  504
 Found four species comparison        namj        st          pe          ky       1.00000     2.00000     0.75000     1.00000  -260.23053  -265.27912  505
 Found four species comparison        namj        apbo        mgpv        mgcf     1.00000     1.00000     2.00000     1.00000  -259.39185  -265.27912  506
 Found four species comparison        namj        apbo        mgpv        mnal     0.80000     1.20000     2.40000     0.40000  -259.48990  -265.27912  507
 Found four species comparison        namj        apbo        alpv        pe       1.00000     3.00000     1.00000     0.75000  -257.37926  -265.27912  508
 Found four species comparison        namj        apbo        mppv        mgcf     1.00000     1.00000     2.00000     1.00000  -256.96136  -265.27912  509
 Found four species comparison        namj        apbo        mppv        mnal     0.80000     1.20000     2.40000     0.40000  -256.57333  -265.27912  510
 Found four species comparison        namj        apbo        appv        pe       1.00000     3.00000     1.00000     0.75000  -253.98362  -265.27912  511
 Found four species comparison        namj        apbo        pe          mgcf     1.00000     3.00000     0.50000     1.00000  -258.28738  -265.27912  512
 Found four species comparison        namj        apbo        pe          mnal     0.80000     3.60000     0.60000     0.40000  -258.16454  -265.27912  513
 Found four species comparison        namj        apbo        pe          ky       1.00000     2.00000     0.75000     1.00000  -259.08642  -265.27912  514
Found three species comparison        namj        mgpv        alpv     1.00000     3.00000     1.00000  -260.08478  -265.27912  515
Found three species comparison        namj        mgpv        appv     1.00000     3.00000     1.00000  -255.64032  -265.27912  516
 Found four species comparison        namj        mgpv        pe          ky       1.00000     2.00000     0.25000     1.00000  -260.19088  -265.27912  517
 Found four species comparison        namj        mgpv        anao        ky       0.80000     3.20000     0.20000     0.80000  -259.66794  -265.27912  518
 Found four species comparison        namj        mgpv        mgcf        ky       1.00000     2.50000     0.50000     0.50000  -260.06748  -265.27912  519
 Found four species comparison        namj        mgpv        nacf        ky       0.66667     3.33333     0.66667     0.66667  -259.83436  -265.27912  520
 Found four species comparison        namj        mgpv        mnal        ky       0.90909     2.72727     0.18182     0.54545  -260.17347  -265.27912  521
 Found four species comparison        namj        mgpv        nnal        ky       0.66667     3.33333     0.22222     0.66667  -259.56826  -265.27912  522
 Found four species comparison        namj        mgpv        ky          neph     0.66667     3.33333     0.66667     0.66667  -258.91756  -265.27912  523
Found three species comparison        namj        alpv        mppv     1.00000     1.00000     3.00000  -255.39024  -265.27912  524
Found three species comparison        namj        mppv        appv     1.00000     3.00000     1.00000  -253.04304  -265.27912  525
 Found four species comparison        namj        mppv        pe          ky       1.00000     2.00000     0.25000     1.00000  -257.76040  -265.27912  526
 Found four species comparison        namj        mppv        anao        ky       0.80000     3.20000     0.20000     0.80000  -255.77917  -265.27912  527
 Found four species comparison        namj        mppv        mgcf        ky       1.00000     2.50000     0.50000     0.50000  -257.02938  -265.27912  528
 Found four species comparison        namj        mppv        nacf        ky       0.66667     3.33333     0.66667     0.66667  -255.78356  -265.27912  529
 Found four species comparison        namj        mppv        mnal        ky       0.90909     2.72727     0.18182     0.54545  -256.85918  -265.27912  530
 Found four species comparison        namj        mppv        nnal        ky       0.66667     3.33333     0.22222     0.66667  -255.51746  -265.27912  531
 Found four species comparison        namj        mppv        ky          neph     0.66667     3.33333     0.66667     0.66667  -254.86676  -265.27912  532
Found three species comparison        qtz         mgpv        anao     4.00000     4.00000     1.00000  -254.82774  -265.27912  533
Found three species comparison        qtz         mgpv        nacf     2.00000     4.00000     2.00000  -257.74711  -265.27912  534
Found three species comparison        qtz         mgpv        nnal     2.00000     4.00000     0.66667  -256.94881  -265.27912  535
Found three species comparison        qtz         mgpv        neph     2.00000     4.00000     2.00000  -254.99672  -265.27912  536
Found three species comparison        qtz         mppv        anao     4.00000     4.00000     1.00000  -249.96677  -265.27912  537
Found three species comparison        qtz         mppv        nacf     2.00000     4.00000     2.00000  -252.88615  -265.27912  538
Found three species comparison        qtz         mppv        nnal     2.00000     4.00000     0.66667  -252.08784  -265.27912  539
Found three species comparison        qtz         mppv        neph     2.00000     4.00000     2.00000  -250.13576  -265.27912  540
Found three species comparison        qtz         pe          anao     8.00000     1.00000     1.00000  -252.68057  -265.27912  541
Found three species comparison        qtz         pe          nacf     6.00000     1.00000     2.00000  -254.99870  -265.27912  542
Found three species comparison        qtz         pe          nnal     6.00000     1.00000     0.66667  -254.20039  -265.27912  543
Found three species comparison        qtz         pe          neph     6.00000     1.00000     2.00000  -252.24831  -265.27912  544
Found three species comparison        coes        mgpv        anao     4.00000     4.00000     1.00000  -256.07210  -265.27912  545
Found three species comparison        coes        mgpv        nacf     2.00000     4.00000     2.00000  -258.36929  -265.27912  546
Found three species comparison        coes        mgpv        nnal     2.00000     4.00000     0.66667  -257.57099  -265.27912  547
Found three species comparison        coes        mgpv        neph     2.00000     4.00000     2.00000  -255.61890  -265.27912  548
Found three species comparison        coes        mppv        anao     4.00000     4.00000     1.00000  -251.21114  -265.27912  549
Found three species comparison        coes        mppv        nacf     2.00000     4.00000     2.00000  -253.50833  -265.27912  550
Found three species comparison        coes        mppv        nnal     2.00000     4.00000     0.66667  -252.71003  -265.27912  551
Found three species comparison        coes        mppv        neph     2.00000     4.00000     2.00000  -250.75794  -265.27912  552
Found three species comparison        coes        pe          anao     8.00000     1.00000     1.00000  -255.16930  -265.27912  553
Found three species comparison        coes        pe          nacf     6.00000     1.00000     2.00000  -256.86525  -265.27912  554
Found three species comparison        coes        pe          nnal     6.00000     1.00000     0.66667  -256.06694  -265.27912  555
Found three species comparison        coes        pe          neph     6.00000     1.00000     2.00000  -254.11486  -265.27912  556
Found three species comparison        st          mgpv        anao     4.00000     4.00000     1.00000  -257.65544  -265.27912  557
Found three species comparison        st          mgpv        nacf     2.00000     4.00000     2.00000  -259.16096  -265.27912  558
Found three species comparison        st          mgpv        nnal     2.00000     4.00000     0.66667  -258.36266  -265.27912  559
Found three species comparison        st          mgpv        neph     2.00000     4.00000     2.00000  -256.41057  -265.27912  560
Found three species comparison        st          mppv        anao     4.00000     4.00000     1.00000  -252.79448  -265.27912  561
Found three species comparison        st          mppv        nacf     2.00000     4.00000     2.00000  -254.30000  -265.27912  562
Found three species comparison        st          mppv        nnal     2.00000     4.00000     0.66667  -253.50170  -265.27912  563
Found three species comparison        st          mppv        neph     2.00000     4.00000     2.00000  -251.54961  -265.27912  564
Found three species comparison        st          pe          anao     8.00000     1.00000     1.00000  -258.33598  -265.27912  565
Found three species comparison        st          pe          nacf     6.00000     1.00000     2.00000  -259.24026  -265.27912  566
Found three species comparison        st          pe          nnal     6.00000     1.00000     0.66667  -258.44195  -265.27912  567
Found three species comparison        st          pe          neph     6.00000     1.00000     2.00000  -256.48986  -265.27912  568
Found three species comparison        apbo        mgpv        anao     4.00000     4.00000     1.00000  -255.36722  -265.27912  569
Found three species comparison        apbo        mgpv        nacf     2.00000     4.00000     2.00000  -258.01685  -265.27912  570
Found three species comparison        apbo        mgpv        nnal     2.00000     4.00000     0.66667  -257.21855  -265.27912  571
Found three species comparison        apbo        mgpv        neph     2.00000     4.00000     2.00000  -255.26646  -265.27912  572
Found three species comparison        apbo        mppv        anao     4.00000     4.00000     1.00000  -250.50625  -265.27912  573
Found three species comparison        apbo        mppv        nacf     2.00000     4.00000     2.00000  -253.15589  -265.27912  574
Found three species comparison        apbo        mppv        nnal     2.00000     4.00000     0.66667  -252.35758  -265.27912  575
Found three species comparison        apbo        mppv        neph     2.00000     4.00000     2.00000  -250.40550  -265.27912  576
Found three species comparison        apbo        pe          anao     8.00000     1.00000     1.00000  -253.75953  -265.27912  577
Found three species comparison        apbo        pe          nacf     6.00000     1.00000     2.00000  -255.80791  -265.27912  578
Found three species comparison        apbo        pe          nnal     6.00000     1.00000     0.66667  -255.00961  -265.27912  579
Found three species comparison        apbo        pe          neph     6.00000     1.00000     2.00000  -253.05752  -265.27912  580
 439 pynamj             8.00   4.00   0.00   0.00   2.00   2.00  24.00
Number of non-zero components,phases,Gapp    5    1      -296.60142        13.50000      2373.00000
 Found four species comparison        ab          sp          en          namj     0.66667     0.16667     1.33333     0.66667  -291.39729  -296.60142    1
 Found four species comparison        ab          sp          cen         namj     0.66667     0.16667     1.33333     0.66667  -291.09654  -296.60142    2
 Found four species comparison        ab          sp          mgc2        namj     0.66667     0.16667     1.33333     0.66667  -291.40071  -296.60142    3
 Found four species comparison        ab          sp          mgil        namj     0.66667     0.16667     2.66667     0.66667  -289.99219  -296.60142    4
 Found four species comparison        ab          sp          mgmj        namj     0.66667     0.16667     0.66667     0.66667  -291.55902  -296.60142    5
 Found four species comparison        ab          sp          namj        mgpv     0.66667     0.16667     0.66667     2.66667  -289.48762  -296.60142    6
 Found four species comparison        ab          sp          namj        mppv     0.66667     0.16667     0.66667     2.66667  -286.01585  -296.60142    7
  Found two species comparison        ab          fo       2.00000     2.00000  -288.42832  -296.60142    8
  Found two species comparison        ab          mgwa     2.00000     2.00000  -288.19955  -296.60142    9
  Found two species comparison        ab          mgri     2.00000     2.00000  -287.75804  -296.60142   10
 Found four species comparison        ab          en          namj        mgcf     0.66667     1.33333     0.66667     0.66667  -291.12369  -296.60142   11
 Found four species comparison        ab          en          namj        mnal     0.75000     1.50000     0.50000     0.25000  -291.29580  -296.60142   12
Found three species comparison        ab          en          pe       2.00000     1.00000     0.50000  -287.98312  -296.60142   13
Found three species comparison        ab          en          anao     1.33333     2.00000     0.33333  -289.85144  -296.60142   14
Found three species comparison        ab          en          nacf     1.00000     2.00000     1.00000  -291.33435  -296.60142   15
Found three species comparison        ab          en          nnal     1.00000     2.00000     0.33333  -290.54913  -296.60142   16
Found three species comparison        ab          en          neph     1.00000     2.00000     1.00000  -289.68772  -296.60142   17
 Found four species comparison        ab          cen         namj        mgcf     0.66667     1.33333     0.66667     0.66667  -290.82293  -296.60142   18
 Found four species comparison        ab          cen         namj        mnal     0.75000     1.50000     0.50000     0.25000  -290.95745  -296.60142   19
Found three species comparison        ab          cen         pe       2.00000     1.00000     0.50000  -287.75755  -296.60142   20
Found three species comparison        ab          cen         anao     1.33333     2.00000     0.33333  -289.40031  -296.60142   21
Found three species comparison        ab          cen         nacf     1.00000     2.00000     1.00000  -290.88321  -296.60142   22
Found three species comparison        ab          cen         nnal     1.00000     2.00000     0.33333  -290.09800  -296.60142   23
Found three species comparison        ab          cen         neph     1.00000     2.00000     1.00000  -289.23659  -296.60142   24
 Found four species comparison        ab          mgc2        namj        mgcf     0.66667     1.33333     0.66667     0.66667  -291.12711  -296.60142   25
 Found four species comparison        ab          mgc2        namj        mnal     0.75000     1.50000     0.50000     0.25000  -291.29964  -296.60142   26
Found three species comparison        ab          mgc2        pe       2.00000     1.00000     0.50000  -287.98568  -296.60142   27
Found three species comparison        ab          mgc2        anao     1.33333     2.00000     0.33333  -289.85657  -296.60142   28
Found three species comparison        ab          mgc2        nacf     1.00000     2.00000     1.00000  -291.33947  -296.60142   29
Found three species comparison        ab          mgc2        nnal     1.00000     2.00000     0.33333  -290.55426  -296.60142   30
Found three species comparison        ab          mgc2        neph     1.00000     2.00000     1.00000  -289.69285  -296.60142   31
 Found four species comparison        ab          mgil        namj        mgcf     0.66667     2.66667     0.66667     0.66667  -289.71859  -296.60142   32
 Found four species comparison        ab          mgil        namj        mnal     0.75000     3.00000     0.50000     0.25000  -289.71506  -296.60142   33
Found three species comparison        ab          mgil        pe       2.00000     2.00000     0.50000  -286.92929  -296.60142   34
Found three species comparison        ab          mgil        anao     1.33333     4.00000     0.33333  -287.74379  -296.60142   35
Found three species comparison        ab          mgil        nacf     1.00000     4.00000     1.00000  -289.22670  -296.60142   36
Found three species comparison        ab          mgil        nnal     1.00000     4.00000     0.33333  -288.44148  -296.60142   37
Found three species comparison        ab          mgil        neph     1.00000     4.00000     1.00000  -287.58007  -296.60142   38
 Found four species comparison        ab          mgmj        namj        mgcf     0.66667     0.66667     0.66667     0.66667  -291.28542  -296.60142   39
 Found four species comparison        ab          mgmj        namj        mnal     0.75000     0.75000     0.50000     0.25000  -291.40806  -296.60142   40
Found three species comparison        ab          mgmj        pe       2.00000     0.50000     0.50000  -287.73456  -296.60142   41
Found three species comparison        ab          mgmj        anao     1.33333     1.00000     0.33333  -289.35433  -296.60142   42
Found three species comparison        ab          mgmj        nacf     1.00000     1.00000     1.00000  -290.83724  -296.60142   43
Found three species comparison        ab          mgmj        nnal     1.00000     1.00000     0.33333  -290.05202  -296.60142   44
Found three species comparison        ab          mgmj        neph     1.00000     1.00000     1.00000  -289.19061  -296.60142   45
 Found four species comparison        ab          namj        mgpv        mgcf     0.66667     0.66667     2.66667     0.66667  -289.21401  -296.60142   46
 Found four species comparison        ab          namj        mgpv        mnal     0.75000     0.50000     3.00000     0.25000  -289.14741  -296.60142   47
 Found four species comparison        ab          namj        mppv        mgcf     0.66667     0.66667     2.66667     0.66667  -285.74225  -296.60142   48
 Found four species comparison        ab          namj        mppv        mnal     0.75000     0.50000     3.00000     0.25000  -285.24168  -296.60142   49
Found three species comparison        ab          qtz         pe       2.00000     2.00000     1.00000  -285.24684  -296.60142   50
Found three species comparison        ab          coes        pe       2.00000     2.00000     1.00000  -285.89588  -296.60142   51
Found three species comparison        ab          st          pe       2.00000     2.00000     1.00000  -286.30700  -296.60142   52
Found three species comparison        ab          apbo        pe       2.00000     2.00000     1.00000  -285.09836  -296.60142   53
Found three species comparison        ab          mgpv        pe       2.00000     2.00000     0.50000  -286.55086  -296.60142   54
Found three species comparison        ab          mgpv        anao     1.33333     4.00000     0.33333  -286.98693  -296.60142   55
Found three species comparison        ab          mgpv        nacf     1.00000     4.00000     1.00000  -288.46984  -296.60142   56
Found three species comparison        ab          mgpv        nnal     1.00000     4.00000     0.33333  -287.68462  -296.60142   57
Found three species comparison        ab          mgpv        neph     1.00000     4.00000     1.00000  -286.82321  -296.60142   58
Found three species comparison        ab          mppv        pe       2.00000     2.00000     0.50000  -283.94704  -296.60142   59
Found three species comparison        ab          mppv        anao     1.33333     4.00000     0.33333  -281.77928  -296.60142   60
Found three species comparison        ab          mppv        nacf     1.00000     4.00000     1.00000  -283.26219  -296.60142   61
Found three species comparison        ab          mppv        nnal     1.00000     4.00000     0.33333  -282.47697  -296.60142   62
Found three species comparison        ab          mppv        neph     1.00000     4.00000     1.00000  -281.61556  -296.60142   63
 Found four species comparison        sp          fo          namj        qtz      0.25000     1.00000     1.00000     2.00000  -290.59071  -296.60142   64
 Found four species comparison        sp          fo          namj        coes     0.25000     1.00000     1.00000     2.00000  -291.23975  -296.60142   65
 Found four species comparison        sp          fo          namj        st       0.25000     1.00000     1.00000     2.00000  -291.65087  -296.60142   66
 Found four species comparison        sp          fo          namj        apbo     0.25000     1.00000     1.00000     2.00000  -290.44223  -296.60142   67
 Found four species comparison        sp          mgwa        namj        qtz      0.25000     1.00000     1.00000     2.00000  -290.47632  -296.60142   68
 Found four species comparison        sp          mgwa        namj        coes     0.25000     1.00000     1.00000     2.00000  -291.12536  -296.60142   69
 Found four species comparison        sp          mgwa        namj        st       0.25000     1.00000     1.00000     2.00000  -291.53648  -296.60142   70
 Found four species comparison        sp          mgwa        namj        apbo     0.25000     1.00000     1.00000     2.00000  -290.32784  -296.60142   71
 Found four species comparison        sp          mgri        namj        qtz      0.25000     1.00000     1.00000     2.00000  -290.25557  -296.60142   72
 Found four species comparison        sp          mgri        namj        coes     0.25000     1.00000     1.00000     2.00000  -290.90461  -296.60142   73
 Found four species comparison        sp          mgri        namj        st       0.25000     1.00000     1.00000     2.00000  -291.31572  -296.60142   74
 Found four species comparison        sp          mgri        namj        apbo     0.25000     1.00000     1.00000     2.00000  -290.10709  -296.60142   75
 Found four species comparison        sp          en          namj        qtz      0.25000     1.00000     1.00000     1.00000  -291.73624  -296.60142   76
 Found four species comparison        sp          en          namj        coes     0.25000     1.00000     1.00000     1.00000  -292.06076  -296.60142   77
 Found four species comparison        sp          en          namj        st       0.25000     1.00000     1.00000     1.00000  -292.26632  -296.60142   78
 Found four species comparison        sp          en          namj        apbo     0.25000     1.00000     1.00000     1.00000  -291.66200  -296.60142   79
 Found four species comparison        sp          en          namj        ky       0.12500     1.25000     1.00000     0.50000  -292.53669  -296.60142   80
 Found four species comparison        sp          cen         namj        qtz      0.25000     1.00000     1.00000     1.00000  -291.51068  -296.60142   81
 Found four species comparison        sp          cen         namj        coes     0.25000     1.00000     1.00000     1.00000  -291.83520  -296.60142   82
 Found four species comparison        sp          cen         namj        st       0.25000     1.00000     1.00000     1.00000  -292.04076  -296.60142   83
 Found four species comparison        sp          cen         namj        apbo     0.25000     1.00000     1.00000     1.00000  -291.43644  -296.60142   84
 Found four species comparison        sp          cen         namj        ky       0.12500     1.25000     1.00000     0.50000  -292.25473  -296.60142   85
 Found four species comparison        sp          mgc2        namj        qtz      0.25000     1.00000     1.00000     1.00000  -291.73881  -296.60142   86
 Found four species comparison        sp          mgc2        namj        coes     0.25000     1.00000     1.00000     1.00000  -292.06333  -296.60142   87
 Found four species comparison        sp          mgc2        namj        st       0.25000     1.00000     1.00000     1.00000  -292.26889  -296.60142   88
 Found four species comparison        sp          mgc2        namj        apbo     0.25000     1.00000     1.00000     1.00000  -291.66457  -296.60142   89
 Found four species comparison        sp          mgc2        namj        ky       0.12500     1.25000     1.00000     0.50000  -292.53989  -296.60142   90
 Found four species comparison        sp          mgil        namj        qtz      0.25000     2.00000     1.00000     1.00000  -290.68242  -296.60142   91
 Found four species comparison        sp          mgil        namj        coes     0.25000     2.00000     1.00000     1.00000  -291.00694  -296.60142   92
 Found four species comparison        sp          mgil        namj        st       0.25000     2.00000     1.00000     1.00000  -291.21250  -296.60142   93
 Found four species comparison        sp          mgil        namj        apbo     0.25000     2.00000     1.00000     1.00000  -290.60818  -296.60142   94
 Found four species comparison        sp          mgil        namj        ky       0.12500     2.50000     1.00000     0.50000  -291.21941  -296.60142   95
 Found four species comparison        sp          mgmj        namj        qtz      0.25000     0.50000     1.00000     1.00000  -291.95090  -296.60142   96
 Found four species comparison        sp          mgmj        namj        coes     0.25000     0.50000     1.00000     1.00000  -292.27542  -296.60142   97
 Found four species comparison        sp          mgmj        namj        st       0.25000     0.50000     1.00000     1.00000  -292.48098  -296.60142   98
 Found four species comparison        sp          mgmj        namj        apbo     0.25000     0.50000     1.00000     1.00000  -291.87666  -296.60142   99
 Found four species comparison        sp          mgmj        namj        ky       0.12500     0.62500     1.00000     0.50000  -292.76444  -296.60142  100
 Found four species comparison        sp          namj        qtz         mgpv     0.25000     1.00000     1.00000     2.00000  -290.30399  -296.60142  101
 Found four species comparison        sp          namj        qtz         mppv     0.25000     1.00000     1.00000     2.00000  -287.70016  -296.60142  102
 Found four species comparison        sp          namj        qtz         pe       0.25000     1.00000     3.00000     0.50000  -288.99997  -296.60142  103
 Found four species comparison        sp          namj        coes        mgpv     0.25000     1.00000     1.00000     2.00000  -290.62851  -296.60142  104
 Found four species comparison        sp          namj        coes        mppv     0.25000     1.00000     1.00000     2.00000  -288.02468  -296.60142  105
 Found four species comparison        sp          namj        coes        pe       0.25000     1.00000     3.00000     0.50000  -289.97353  -296.60142  106
 Found four species comparison        sp          namj        st          mgpv     0.25000     1.00000     1.00000     2.00000  -290.83407  -296.60142  107
 Found four species comparison        sp          namj        st          mppv     0.25000     1.00000     1.00000     2.00000  -288.23024  -296.60142  108
 Found four species comparison        sp          namj        st          pe       0.25000     1.00000     3.00000     0.50000  -290.59020  -296.60142  109
 Found four species comparison        sp          namj        apbo        mgpv     0.25000     1.00000     1.00000     2.00000  -290.22975  -296.60142  110
 Found four species comparison        sp          namj        apbo        mppv     0.25000     1.00000     1.00000     2.00000  -287.62593  -296.60142  111
 Found four species comparison        sp          namj        apbo        pe       0.25000     1.00000     3.00000     0.50000  -288.77725  -296.60142  112
 Found four species comparison        sp          namj        mgpv        ky       0.12500     1.00000     2.50000     0.50000  -290.74637  -296.60142  113
 Found four species comparison        sp          namj        mppv        ky       0.12500     1.00000     2.50000     0.50000  -287.49159  -296.60142  114
 Found four species comparison        fo          en          namj        ky       1.00000     0.50000     1.00000     1.00000  -292.19160  -296.60142  115
 Found four species comparison        fo          mgts        namj        qtz      1.00000     1.00000     1.00000     1.00000  -291.26359  -296.60142  116
 Found four species comparison        fo          mgts        namj        coes     1.00000     1.00000     1.00000     1.00000  -291.58811  -296.60142  117
 Found four species comparison        fo          mgts        namj        st       1.00000     1.00000     1.00000     1.00000  -291.79367  -296.60142  118
 Found four species comparison        fo          mgts        namj        apbo     1.00000     1.00000     1.00000     1.00000  -291.18935  -296.60142  119
 Found four species comparison        fo          cen         namj        ky       1.00000     0.50000     1.00000     1.00000  -292.07882  -296.60142  120
Found three species comparison        fo          jd          qtz      2.00000     2.00000     2.00000  -293.17700  -296.60142  121
Found three species comparison        fo          jd          coes     2.00000     2.00000     2.00000  -293.82604  -296.60142  122
Found three species comparison        fo          jd          st       2.00000     2.00000     2.00000  -294.23716  -296.60142  123
Found three species comparison        fo          jd          apbo     2.00000     2.00000     2.00000  -293.02852  -296.60142  124
 Found four species comparison        fo          mgc2        namj        ky       1.00000     0.50000     1.00000     1.00000  -292.19288  -296.60142  125
 Found four species comparison        fo          mgil        namj        ky       1.00000     1.00000     1.00000     1.00000  -291.66469  -296.60142  126
 Found four species comparison        fo          co          namj        qtz      1.50000     1.00000     1.00000     1.50000  -290.94940  -296.60142  127
 Found four species comparison        fo          co          namj        coes     1.50000     1.00000     1.00000     1.50000  -291.43619  -296.60142  128
 Found four species comparison        fo          co          namj        st       1.50000     1.00000     1.00000     1.50000  -291.74452  -296.60142  129
 Found four species comparison        fo          co          namj        apbo     1.50000     1.00000     1.00000     1.50000  -290.83805  -296.60142  130
 Found four species comparison        fo          mgmj        namj        ky       1.00000     0.25000     1.00000     1.00000  -292.35757  -296.60142  131
 Found four species comparison        fo          namj        qtz         alpv     1.50000     1.00000     1.50000     1.00000  -290.05518  -296.60142  132
 Found four species comparison        fo          namj        qtz         appv     1.50000     1.00000     1.50000     1.00000  -287.00959  -296.60142  133
 Found four species comparison        fo          namj        qtz         mgcf     1.00000     1.00000     2.00000     1.00000  -290.18030  -296.60142  134
 Found four species comparison        fo          namj        qtz         mnal     1.20000     0.80000     2.40000     0.40000  -290.26699  -296.60142  135
 Found four species comparison        fo          namj        qtz         ky       1.50000     1.00000     0.50000     1.00000  -291.61883  -296.60142  136
 Found four species comparison        fo          namj        coes        alpv     1.50000     1.00000     1.50000     1.00000  -290.54196  -296.60142  137
 Found four species comparison        fo          namj        coes        appv     1.50000     1.00000     1.50000     1.00000  -287.49637  -296.60142  138
 Found four species comparison        fo          namj        coes        mgcf     1.00000     1.00000     2.00000     1.00000  -290.82934  -296.60142  139
 Found four species comparison        fo          namj        coes        mnal     1.20000     0.80000     2.40000     0.40000  -291.04584  -296.60142  140
 Found four species comparison        fo          namj        coes        ky       1.50000     1.00000     0.50000     1.00000  -291.78109  -296.60142  141
 Found four species comparison        fo          namj        st          alpv     1.50000     1.00000     1.50000     1.00000  -290.85029  -296.60142  142
 Found four species comparison        fo          namj        st          appv     1.50000     1.00000     1.50000     1.00000  -287.80471  -296.60142  143
 Found four species comparison        fo          namj        st          mgcf     1.00000     1.00000     2.00000     1.00000  -291.24046  -296.60142  144
 Found four species comparison        fo          namj        st          mnal     1.20000     0.80000     2.40000     0.40000  -291.53918  -296.60142  145
 Found four species comparison        fo          namj        st          ky       1.50000     1.00000     0.50000     1.00000  -291.88387  -296.60142  146
 Found four species comparison        fo          namj        apbo        alpv     1.50000     1.00000     1.50000     1.00000  -289.94382  -296.60142  147
 Found four species comparison        fo          namj        apbo        appv     1.50000     1.00000     1.50000     1.00000  -286.89824  -296.60142  148
 Found four species comparison        fo          namj        apbo        mgcf     1.00000     1.00000     2.00000     1.00000  -290.03182  -296.60142  149
 Found four species comparison        fo          namj        apbo        mnal     1.20000     0.80000     2.40000     0.40000  -290.08882  -296.60142  150
 Found four species comparison        fo          namj        apbo        ky       1.50000     1.00000     0.50000     1.00000  -291.58171  -296.60142  151
 Found four species comparison        fo          namj        mgpv        ky       1.00000     1.00000     1.00000     1.00000  -291.47547  -296.60142  152
 Found four species comparison        fo          namj        mppv        ky       1.00000     1.00000     1.00000     1.00000  -290.17356  -296.60142  153
Found three species comparison        fo          qtz         anao     2.00000     6.00000     1.00000  -285.82446  -296.60142  154
Found three species comparison        fo          qtz         nacf     2.00000     4.00000     2.00000  -289.65823  -296.60142  155
Found three species comparison        fo          qtz         nnal     2.00000     4.00000     0.66667  -288.08780  -296.60142  156
Found three species comparison        fo          qtz         neph     2.00000     4.00000     2.00000  -286.36498  -296.60142  157
Found three species comparison        fo          coes        anao     2.00000     6.00000     1.00000  -287.77158  -296.60142  158
Found three species comparison        fo          coes        nacf     2.00000     4.00000     2.00000  -290.95631  -296.60142  159
Found three species comparison        fo          coes        nnal     2.00000     4.00000     0.66667  -289.38588  -296.60142  160
Found three species comparison        fo          coes        neph     2.00000     4.00000     2.00000  -287.66306  -296.60142  161
Found three species comparison        fo          st          anao     2.00000     6.00000     1.00000  -289.00494  -296.60142  162
Found three species comparison        fo          st          nacf     2.00000     4.00000     2.00000  -291.77854  -296.60142  163
Found three species comparison        fo          st          nnal     2.00000     4.00000     0.66667  -290.20812  -296.60142  164
Found three species comparison        fo          st          neph     2.00000     4.00000     2.00000  -288.48530  -296.60142  165
Found three species comparison        fo          apbo        anao     2.00000     6.00000     1.00000  -285.37903  -296.60142  166
Found three species comparison        fo          apbo        nacf     2.00000     4.00000     2.00000  -289.36127  -296.60142  167
Found three species comparison        fo          apbo        nnal     2.00000     4.00000     0.66667  -287.79085  -296.60142  168
Found three species comparison        fo          apbo        neph     2.00000     4.00000     2.00000  -286.06803  -296.60142  169
 Found four species comparison        mgwa        en          namj        ky       1.00000     0.50000     1.00000     1.00000  -292.07721  -296.60142  170
 Found four species comparison        mgwa        mgts        namj        qtz      1.00000     1.00000     1.00000     1.00000  -291.14920  -296.60142  171
 Found four species comparison        mgwa        mgts        namj        coes     1.00000     1.00000     1.00000     1.00000  -291.47372  -296.60142  172
 Found four species comparison        mgwa        mgts        namj        st       1.00000     1.00000     1.00000     1.00000  -291.67928  -296.60142  173
 Found four species comparison        mgwa        mgts        namj        apbo     1.00000     1.00000     1.00000     1.00000  -291.07497  -296.60142  174
 Found four species comparison        mgwa        cen         namj        ky       1.00000     0.50000     1.00000     1.00000  -291.96443  -296.60142  175
Found three species comparison        mgwa        jd          qtz      2.00000     2.00000     2.00000  -292.94823  -296.60142  176
Found three species comparison        mgwa        jd          coes     2.00000     2.00000     2.00000  -293.59727  -296.60142  177
Found three species comparison        mgwa        jd          st       2.00000     2.00000     2.00000  -294.00839  -296.60142  178
Found three species comparison        mgwa        jd          apbo     2.00000     2.00000     2.00000  -292.79975  -296.60142  179
 Found four species comparison        mgwa        mgc2        namj        ky       1.00000     0.50000     1.00000     1.00000  -292.07849  -296.60142  180
 Found four species comparison        mgwa        mgil        namj        ky       1.00000     1.00000     1.00000     1.00000  -291.55030  -296.60142  181
 Found four species comparison        mgwa        co          namj        qtz      1.50000     1.00000     1.00000     1.50000  -290.77783  -296.60142  182
 Found four species comparison        mgwa        co          namj        coes     1.50000     1.00000     1.00000     1.50000  -291.26461  -296.60142  183
 Found four species comparison        mgwa        co          namj        st       1.50000     1.00000     1.00000     1.50000  -291.57294  -296.60142  184
 Found four species comparison        mgwa        co          namj        apbo     1.50000     1.00000     1.00000     1.50000  -290.66647  -296.60142  185
 Found four species comparison        mgwa        mgmj        namj        ky       1.00000     0.25000     1.00000     1.00000  -292.24319  -296.60142  186
 Found four species comparison        mgwa        namj        qtz         alpv     1.50000     1.00000     1.50000     1.00000  -289.88360  -296.60142  187
 Found four species comparison        mgwa        namj        qtz         appv     1.50000     1.00000     1.50000     1.00000  -286.83801  -296.60142  188
 Found four species comparison        mgwa        namj        qtz         mgcf     1.00000     1.00000     2.00000     1.00000  -290.06591  -296.60142  189
 Found four species comparison        mgwa        namj        qtz         mnal     1.20000     0.80000     2.40000     0.40000  -290.12973  -296.60142  190
 Found four species comparison        mgwa        namj        qtz         ky       1.50000     1.00000     0.50000     1.00000  -291.44725  -296.60142  191
 Found four species comparison        mgwa        namj        coes        alpv     1.50000     1.00000     1.50000     1.00000  -290.37038  -296.60142  192
 Found four species comparison        mgwa        namj        coes        appv     1.50000     1.00000     1.50000     1.00000  -287.32479  -296.60142  193
 Found four species comparison        mgwa        namj        coes        mgcf     1.00000     1.00000     2.00000     1.00000  -290.71495  -296.60142  194
 Found four species comparison        mgwa        namj        coes        mnal     1.20000     0.80000     2.40000     0.40000  -290.90858  -296.60142  195
 Found four species comparison        mgwa        namj        coes        ky       1.50000     1.00000     0.50000     1.00000  -291.60951  -296.60142  196
 Found four species comparison        mgwa        namj        st          alpv     1.50000     1.00000     1.50000     1.00000  -290.67871  -296.60142  197
 Found four species comparison        mgwa        namj        st          appv     1.50000     1.00000     1.50000     1.00000  -287.63313  -296.60142  198
 Found four species comparison        mgwa        namj        st          mgcf     1.00000     1.00000     2.00000     1.00000  -291.12607  -296.60142  199
 Found four species comparison        mgwa        namj        st          mnal     1.20000     0.80000     2.40000     0.40000  -291.40192  -296.60142  200
 Found four species comparison        mgwa        namj        st          ky       1.50000     1.00000     0.50000     1.00000  -291.71229  -296.60142  201
 Found four species comparison        mgwa        namj        apbo        alpv     1.50000     1.00000     1.50000     1.00000  -289.77224  -296.60142  202
 Found four species comparison        mgwa        namj        apbo        appv     1.50000     1.00000     1.50000     1.00000  -286.72666  -296.60142  203
 Found four species comparison        mgwa        namj        apbo        mgcf     1.00000     1.00000     2.00000     1.00000  -289.91744  -296.60142  204
 Found four species comparison        mgwa        namj        apbo        mnal     1.20000     0.80000     2.40000     0.40000  -289.95156  -296.60142  205
 Found four species comparison        mgwa        namj        apbo        ky       1.50000     1.00000     0.50000     1.00000  -291.41013  -296.60142  206
 Found four species comparison        mgwa        namj        mgpv        ky       1.00000     1.00000     1.00000     1.00000  -291.36109  -296.60142  207
 Found four species comparison        mgwa        namj        mppv        ky       1.00000     1.00000     1.00000     1.00000  -290.05917  -296.60142  208
Found three species comparison        mgwa        qtz         anao     2.00000     6.00000     1.00000  -285.59569  -296.60142  209
Found three species comparison        mgwa        qtz         nacf     2.00000     4.00000     2.00000  -289.42945  -296.60142  210
Found three species comparison        mgwa        qtz         nnal     2.00000     4.00000     0.66667  -287.85903  -296.60142  211
Found three species comparison        mgwa        qtz         neph     2.00000     4.00000     2.00000  -286.13620  -296.60142  212
Found three species comparison        mgwa        coes        anao     2.00000     6.00000     1.00000  -287.54281  -296.60142  213
Found three species comparison        mgwa        coes        nacf     2.00000     4.00000     2.00000  -290.72753  -296.60142  214
Found three species comparison        mgwa        coes        nnal     2.00000     4.00000     0.66667  -289.15711  -296.60142  215
Found three species comparison        mgwa        coes        neph     2.00000     4.00000     2.00000  -287.43429  -296.60142  216
Found three species comparison        mgwa        st          anao     2.00000     6.00000     1.00000  -288.77616  -296.60142  217
Found three species comparison        mgwa        st          nacf     2.00000     4.00000     2.00000  -291.54977  -296.60142  218
Found three species comparison        mgwa        st          nnal     2.00000     4.00000     0.66667  -289.97934  -296.60142  219
Found three species comparison        mgwa        st          neph     2.00000     4.00000     2.00000  -288.25652  -296.60142  220
Found three species comparison        mgwa        apbo        anao     2.00000     6.00000     1.00000  -285.15026  -296.60142  221
Found three species comparison        mgwa        apbo        nacf     2.00000     4.00000     2.00000  -289.13250  -296.60142  222
Found three species comparison        mgwa        apbo        nnal     2.00000     4.00000     0.66667  -287.56207  -296.60142  223
Found three species comparison        mgwa        apbo        neph     2.00000     4.00000     2.00000  -285.83925  -296.60142  224
 Found four species comparison        mgri        en          namj        ky       1.00000     0.50000     1.00000     1.00000  -291.85646  -296.60142  225
 Found four species comparison        mgri        mgts        namj        qtz      1.00000     1.00000     1.00000     1.00000  -290.92845  -296.60142  226
 Found four species comparison        mgri        mgts        namj        coes     1.00000     1.00000     1.00000     1.00000  -291.25297  -296.60142  227
 Found four species comparison        mgri        mgts        namj        st       1.00000     1.00000     1.00000     1.00000  -291.45853  -296.60142  228
 Found four species comparison        mgri        mgts        namj        apbo     1.00000     1.00000     1.00000     1.00000  -290.85421  -296.60142  229
 Found four species comparison        mgri        cen         namj        ky       1.00000     0.50000     1.00000     1.00000  -291.74367  -296.60142  230
Found three species comparison        mgri        jd          qtz      2.00000     2.00000     2.00000  -292.50672  -296.60142  231
Found three species comparison        mgri        jd          coes     2.00000     2.00000     2.00000  -293.15576  -296.60142  232
Found three species comparison        mgri        jd          st       2.00000     2.00000     2.00000  -293.56688  -296.60142  233
Found three species comparison        mgri        jd          apbo     2.00000     2.00000     2.00000  -292.35824  -296.60142  234
 Found four species comparison        mgri        mgc2        namj        ky       1.00000     0.50000     1.00000     1.00000  -291.85774  -296.60142  235
 Found four species comparison        mgri        mgil        namj        ky       1.00000     1.00000     1.00000     1.00000  -291.32955  -296.60142  236
 Found four species comparison        mgri        co          namj        qtz      1.50000     1.00000     1.00000     1.50000  -290.44669  -296.60142  237
 Found four species comparison        mgri        co          namj        coes     1.50000     1.00000     1.00000     1.50000  -290.93347  -296.60142  238
 Found four species comparison        mgri        co          namj        st       1.50000     1.00000     1.00000     1.50000  -291.24181  -296.60142  239
 Found four species comparison        mgri        co          namj        apbo     1.50000     1.00000     1.00000     1.50000  -290.33534  -296.60142  240
 Found four species comparison        mgri        mgmj        namj        ky       1.00000     0.25000     1.00000     1.00000  -292.02243  -296.60142  241
 Found four species comparison        mgri        namj        qtz         alpv     1.50000     1.00000     1.50000     1.00000  -289.55246  -296.60142  242
 Found four species comparison        mgri        namj        qtz         appv     1.50000     1.00000     1.50000     1.00000  -286.50688  -296.60142  243
 Found four species comparison        mgri        namj        qtz         mgcf     1.00000     1.00000     2.00000     1.00000  -289.84516  -296.60142  244
 Found four species comparison        mgri        namj        qtz         mnal     1.20000     0.80000     2.40000     0.40000  -289.86482  -296.60142  245
 Found four species comparison        mgri        namj        qtz         ky       1.50000     1.00000     0.50000     1.00000  -291.11612  -296.60142  246
 Found four species comparison        mgri        namj        coes        alpv     1.50000     1.00000     1.50000     1.00000  -290.03924  -296.60142  247
 Found four species comparison        mgri        namj        coes        appv     1.50000     1.00000     1.50000     1.00000  -286.99366  -296.60142  248
 Found four species comparison        mgri        namj        coes        mgcf     1.00000     1.00000     2.00000     1.00000  -290.49420  -296.60142  249
 Found four species comparison        mgri        namj        coes        mnal     1.20000     0.80000     2.40000     0.40000  -290.64367  -296.60142  250
 Found four species comparison        mgri        namj        coes        ky       1.50000     1.00000     0.50000     1.00000  -291.27838  -296.60142  251
 Found four species comparison        mgri        namj        st          alpv     1.50000     1.00000     1.50000     1.00000  -290.34758  -296.60142  252
 Found four species comparison        mgri        namj        st          appv     1.50000     1.00000     1.50000     1.00000  -287.30200  -296.60142  253
 Found four species comparison        mgri        namj        st          mgcf     1.00000     1.00000     2.00000     1.00000  -290.90532  -296.60142  254
 Found four species comparison        mgri        namj        st          mnal     1.20000     0.80000     2.40000     0.40000  -291.13701  -296.60142  255
 Found four species comparison        mgri        namj        st          ky       1.50000     1.00000     0.50000     1.00000  -291.38116  -296.60142  256
 Found four species comparison        mgri        namj        apbo        alpv     1.50000     1.00000     1.50000     1.00000  -289.44111  -296.60142  257
 Found four species comparison        mgri        namj        apbo        appv     1.50000     1.00000     1.50000     1.00000  -286.39552  -296.60142  258
 Found four species comparison        mgri        namj        apbo        mgcf     1.00000     1.00000     2.00000     1.00000  -289.69668  -296.60142  259
 Found four species comparison        mgri        namj        apbo        mnal     1.20000     0.80000     2.40000     0.40000  -289.68665  -296.60142  260
 Found four species comparison        mgri        namj        apbo        ky       1.50000     1.00000     0.50000     1.00000  -291.07900  -296.60142  261
 Found four species comparison        mgri        namj        mgpv        ky       1.00000     1.00000     1.00000     1.00000  -291.14033  -296.60142  262
 Found four species comparison        mgri        namj        mppv        ky       1.00000     1.00000     1.00000     1.00000  -289.83842  -296.60142  263
Found three species comparison        mgri        qtz         anao     2.00000     6.00000     1.00000  -285.15418  -296.60142  264
Found three species comparison        mgri        qtz         nacf     2.00000     4.00000     2.00000  -288.98794  -296.60142  265
Found three species comparison        mgri        qtz         nnal     2.00000     4.00000     0.66667  -287.41752  -296.60142  266
Found three species comparison        mgri        qtz         neph     2.00000     4.00000     2.00000  -285.69469  -296.60142  267
Found three species comparison        mgri        coes        anao     2.00000     6.00000     1.00000  -287.10130  -296.60142  268
Found three species comparison        mgri        coes        nacf     2.00000     4.00000     2.00000  -290.28602  -296.60142  269
Found three species comparison        mgri        coes        nnal     2.00000     4.00000     0.66667  -288.71560  -296.60142  270
Found three species comparison        mgri        coes        neph     2.00000     4.00000     2.00000  -286.99277  -296.60142  271
Found three species comparison        mgri        st          anao     2.00000     6.00000     1.00000  -288.33465  -296.60142  272
Found three species comparison        mgri        st          nacf     2.00000     4.00000     2.00000  -291.10826  -296.60142  273
Found three species comparison        mgri        st          nnal     2.00000     4.00000     0.66667  -289.53783  -296.60142  274
Found three species comparison        mgri        st          neph     2.00000     4.00000     2.00000  -287.81501  -296.60142  275
Found three species comparison        mgri        apbo        anao     2.00000     6.00000     1.00000  -284.70875  -296.60142  276
Found three species comparison        mgri        apbo        nacf     2.00000     4.00000     2.00000  -288.69099  -296.60142  277
Found three species comparison        mgri        apbo        nnal     2.00000     4.00000     0.66667  -287.12056  -296.60142  278
Found three species comparison        mgri        apbo        neph     2.00000     4.00000     2.00000  -285.39774  -296.60142  279
Found three species comparison        en          mgts        namj     1.00000     1.00000     1.00000  -293.09292  -296.60142  280
  Found two species comparison        en          jd       2.00000     2.00000  -295.46807  -296.60142  281
Found three species comparison        en          co          namj     1.50000     1.00000     1.00000  -292.66771  -296.60142  282
 Found four species comparison        en          namj        qtz         mgcf     1.00000     1.00000     1.00000     1.00000  -291.32583  -296.60142  283
 Found four species comparison        en          namj        qtz         mnal     1.20000     0.80000     1.20000     0.40000  -291.64164  -296.60142  284
 Found four species comparison        en          namj        coes        mgcf     1.00000     1.00000     1.00000     1.00000  -291.65035  -296.60142  285
 Found four species comparison        en          namj        coes        mnal     1.20000     0.80000     1.20000     0.40000  -292.03106  -296.60142  286
 Found four species comparison        en          namj        st          mgcf     1.00000     1.00000     1.00000     1.00000  -291.85591  -296.60142  287
 Found four species comparison        en          namj        st          mnal     1.20000     0.80000     1.20000     0.40000  -292.27773  -296.60142  288
 Found four species comparison        en          namj        apbo        mgcf     1.00000     1.00000     1.00000     1.00000  -291.25160  -296.60142  289
 Found four species comparison        en          namj        apbo        mnal     1.20000     0.80000     1.20000     0.40000  -291.55255  -296.60142  290
Found three species comparison        en          namj        alpv     1.50000     1.00000     1.00000  -291.77348  -296.60142  291
Found three species comparison        en          namj        appv     1.50000     1.00000     1.00000  -288.72790  -296.60142  292
 Found four species comparison        en          namj        pe          ky       1.00000     1.00000     0.25000     1.00000  -291.96900  -296.60142  293
 Found four species comparison        en          namj        anao        ky       1.60000     0.80000     0.20000     0.80000  -292.29281  -296.60142  294
 Found four species comparison        en          namj        mgcf        ky       1.25000     1.00000     0.50000     0.50000  -292.33148  -296.60142  295
 Found four species comparison        en          namj        nacf        ky       1.66667     0.66667     0.66667     0.66667  -292.87452  -296.60142  296
 Found four species comparison        en          namj        mnal        ky       1.36364     0.90909     0.18182     0.54545  -292.56645  -296.60142  297
 Found four species comparison        en          namj        nnal        ky       1.66667     0.66667     0.22222     0.66667  -292.35105  -296.60142  298
 Found four species comparison        en          namj        ky          neph     1.66667     0.66667     0.66667     0.66667  -291.77677  -296.60142  299
Found three species comparison        en          qtz         anao     2.00000     4.00000     1.00000  -288.11553  -296.60142  300
Found three species comparison        en          qtz         nacf     2.00000     2.00000     2.00000  -291.94930  -296.60142  301
Found three species comparison        en          qtz         nnal     2.00000     2.00000     0.66667  -290.37887  -296.60142  302
Found three species comparison        en          qtz         neph     2.00000     2.00000     2.00000  -288.65605  -296.60142  303
Found three species comparison        en          coes        anao     2.00000     4.00000     1.00000  -289.41361  -296.60142  304
Found three species comparison        en          coes        nacf     2.00000     2.00000     2.00000  -292.59834  -296.60142  305
Found three species comparison        en          coes        nnal     2.00000     2.00000     0.66667  -291.02791  -296.60142  306
Found three species comparison        en          coes        neph     2.00000     2.00000     2.00000  -289.30509  -296.60142  307
Found three species comparison        en          st          anao     2.00000     4.00000     1.00000  -290.23585  -296.60142  308
Found three species comparison        en          st          nacf     2.00000     2.00000     2.00000  -293.00946  -296.60142  309
Found three species comparison        en          st          nnal     2.00000     2.00000     0.66667  -291.43903  -296.60142  310
Found three species comparison        en          st          neph     2.00000     2.00000     2.00000  -289.71621  -296.60142  311
Found three species comparison        en          apbo        anao     2.00000     4.00000     1.00000  -287.81858  -296.60142  312
Found three species comparison        en          apbo        nacf     2.00000     2.00000     2.00000  -291.80082  -296.60142  313
Found three species comparison        en          apbo        nnal     2.00000     2.00000     0.66667  -290.23039  -296.60142  314
Found three species comparison        en          apbo        neph     2.00000     2.00000     2.00000  -288.50757  -296.60142  315
Found three species comparison        mgts        cen         namj     1.00000     1.00000     1.00000  -292.18356  -296.60142  316
Found three species comparison        mgts        mgc2        namj     1.00000     1.00000     1.00000  -292.41169  -296.60142  317
Found three species comparison        mgts        mgil        namj     1.00000     2.00000     1.00000  -291.35530  -296.60142  318
Found three species comparison        mgts        mgmj        namj     1.00000     0.50000     1.00000  -292.62378  -296.60142  319
 Found four species comparison        mgts        namj        qtz         pe       1.00000     1.00000     2.00000     0.50000  -289.67285  -296.60142  320
 Found four species comparison        mgts        namj        coes        pe       1.00000     1.00000     2.00000     0.50000  -290.32189  -296.60142  321
 Found four species comparison        mgts        namj        st          pe       1.00000     1.00000     2.00000     0.50000  -290.73301  -296.60142  322
 Found four species comparison        mgts        namj        apbo        pe       1.00000     1.00000     2.00000     0.50000  -289.52437  -296.60142  323
Found three species comparison        mgts        namj        mgpv     1.00000     1.00000     2.00000  -290.97687  -296.60142  324
Found three species comparison        mgts        namj        mppv     1.00000     1.00000     2.00000  -288.37305  -296.60142  325
  Found two species comparison        cen         jd       2.00000     2.00000  -296.60098  -296.60142  326
Found three species comparison        cen         co          namj     1.50000     1.00000     1.00000  -292.32936  -296.60142  327
 Found four species comparison        cen         namj        qtz         mgcf     1.00000     1.00000     1.00000     1.00000  -291.10027  -296.60142  328
 Found four species comparison        cen         namj        qtz         mnal     1.20000     0.80000     1.20000     0.40000  -291.37096  -296.60142  329
 Found four species comparison        cen         namj        coes        mgcf     1.00000     1.00000     1.00000     1.00000  -291.42479  -296.60142  330
 Found four species comparison        cen         namj        coes        mnal     1.20000     0.80000     1.20000     0.40000  -291.76038  -296.60142  331
 Found four species comparison        cen         namj        st          mgcf     1.00000     1.00000     1.00000     1.00000  -291.63035  -296.60142  332
 Found four species comparison        cen         namj        st          mnal     1.20000     0.80000     1.20000     0.40000  -292.00705  -296.60142  333
 Found four species comparison        cen         namj        apbo        mgcf     1.00000     1.00000     1.00000     1.00000  -291.02603  -296.60142  334
 Found four species comparison        cen         namj        apbo        mnal     1.20000     0.80000     1.20000     0.40000  -291.28187  -296.60142  335
Found three species comparison        cen         namj        alpv     1.50000     1.00000     1.00000  -291.43513  -296.60142  336
Found three species comparison        cen         namj        appv     1.50000     1.00000     1.00000  -288.38955  -296.60142  337
 Found four species comparison        cen         namj        pe          ky       1.00000     1.00000     0.25000     1.00000  -291.74343  -296.60142  338
 Found four species comparison        cen         namj        anao        ky       1.60000     0.80000     0.20000     0.80000  -291.93191  -296.60142  339
 Found four species comparison        cen         namj        mgcf        ky       1.25000     1.00000     0.50000     0.50000  -292.04953  -296.60142  340
 Found four species comparison        cen         namj        nacf        ky       1.66667     0.66667     0.66667     0.66667  -292.49858  -296.60142  341
 Found four species comparison        cen         namj        mnal        ky       1.36364     0.90909     0.18182     0.54545  -292.25886  -296.60142  342
 Found four species comparison        cen         namj        nnal        ky       1.66667     0.66667     0.22222     0.66667  -291.97510  -296.60142  343
 Found four species comparison        cen         namj        ky          neph     1.66667     0.66667     0.66667     0.66667  -291.40083  -296.60142  344
Found three species comparison        cen         qtz         anao     2.00000     4.00000     1.00000  -287.66440  -296.60142  345
Found three species comparison        cen         qtz         nacf     2.00000     2.00000     2.00000  -291.49817  -296.60142  346
Found three species comparison        cen         qtz         nnal     2.00000     2.00000     0.66667  -289.92774  -296.60142  347
Found three species comparison        cen         qtz         neph     2.00000     2.00000     2.00000  -288.20492  -296.60142  348
Found three species comparison        cen         coes        anao     2.00000     4.00000     1.00000  -288.96248  -296.60142  349
Found three species comparison        cen         coes        nacf     2.00000     2.00000     2.00000  -292.14721  -296.60142  350
Found three species comparison        cen         coes        nnal     2.00000     2.00000     0.66667  -290.57678  -296.60142  351
Found three species comparison        cen         coes        neph     2.00000     2.00000     2.00000  -288.85396  -296.60142  352
Found three species comparison        cen         st          anao     2.00000     4.00000     1.00000  -289.78472  -296.60142  353
Found three species comparison        cen         st          nacf     2.00000     2.00000     2.00000  -292.55832  -296.60142  354
Found three species comparison        cen         st          nnal     2.00000     2.00000     0.66667  -290.98790  -296.60142  355
Found three species comparison        cen         st          neph     2.00000     2.00000     2.00000  -289.26508  -296.60142  356
Found three species comparison        cen         apbo        anao     2.00000     4.00000     1.00000  -287.36745  -296.60142  357
Found three species comparison        cen         apbo        nacf     2.00000     2.00000     2.00000  -291.34969  -296.60142  358
Found three species comparison        cen         apbo        nnal     2.00000     2.00000     0.66667  -289.77926  -296.60142  359
Found three species comparison        cen         apbo        neph     2.00000     2.00000     2.00000  -288.05644  -296.60142  360
  Found two species comparison        jd          mgc2     2.00000     2.00000  -295.47320  -296.60142  361
  Found two species comparison        jd          mgil     2.00000     4.00000  -293.36042  -296.60142  362
  Found two species comparison        jd          mgmj     2.00000     1.00000  -294.97096  -296.60142  363
Found three species comparison        jd          qtz         pe       2.00000     4.00000     1.00000  -289.99552  -296.60142  364
Found three species comparison        jd          coes        pe       2.00000     4.00000     1.00000  -291.29360  -296.60142  365
Found three species comparison        jd          st          pe       2.00000     4.00000     1.00000  -292.11584  -296.60142  366
Found three species comparison        jd          apbo        pe       2.00000     4.00000     1.00000  -289.69857  -296.60142  367
  Found two species comparison        jd          mgpv     2.00000     4.00000  -292.60356  -296.60142  368
  Found two species comparison        jd          mppv     2.00000     4.00000  -287.39591  -296.60142  369
Found three species comparison        mgc2        co          namj     1.50000     1.00000     1.00000  -292.67155  -296.60142  370
 Found four species comparison        mgc2        namj        qtz         mgcf     1.00000     1.00000     1.00000     1.00000  -291.32840  -296.60142  371
 Found four species comparison        mgc2        namj        qtz         mnal     1.20000     0.80000     1.20000     0.40000  -291.64471  -296.60142  372
 Found four species comparison        mgc2        namj        coes        mgcf     1.00000     1.00000     1.00000     1.00000  -291.65292  -296.60142  373
 Found four species comparison        mgc2        namj        coes        mnal     1.20000     0.80000     1.20000     0.40000  -292.03414  -296.60142  374
 Found four species comparison        mgc2        namj        st          mgcf     1.00000     1.00000     1.00000     1.00000  -291.85848  -296.60142  375
 Found four species comparison        mgc2        namj        st          mnal     1.20000     0.80000     1.20000     0.40000  -292.28081  -296.60142  376
 Found four species comparison        mgc2        namj        apbo        mgcf     1.00000     1.00000     1.00000     1.00000  -291.25416  -296.60142  377
 Found four species comparison        mgc2        namj        apbo        mnal     1.20000     0.80000     1.20000     0.40000  -291.55563  -296.60142  378
Found three species comparison        mgc2        namj        alpv     1.50000     1.00000     1.00000  -291.77732  -296.60142  379
Found three species comparison        mgc2        namj        appv     1.50000     1.00000     1.00000  -288.73174  -296.60142  380
 Found four species comparison        mgc2        namj        pe          ky       1.00000     1.00000     0.25000     1.00000  -291.97156  -296.60142  381
 Found four species comparison        mgc2        namj        anao        ky       1.60000     0.80000     0.20000     0.80000  -292.29692  -296.60142  382
 Found four species comparison        mgc2        namj        mgcf        ky       1.25000     1.00000     0.50000     0.50000  -292.33469  -296.60142  383
 Found four species comparison        mgc2        namj        nacf        ky       1.66667     0.66667     0.66667     0.66667  -292.87880  -296.60142  384
 Found four species comparison        mgc2        namj        mnal        ky       1.36364     0.90909     0.18182     0.54545  -292.56995  -296.60142  385
 Found four species comparison        mgc2        namj        nnal        ky       1.66667     0.66667     0.22222     0.66667  -292.35532  -296.60142  386
 Found four species comparison        mgc2        namj        ky          neph     1.66667     0.66667     0.66667     0.66667  -291.78105  -296.60142  387
Found three species comparison        mgc2        qtz         anao     2.00000     4.00000     1.00000  -288.12066  -296.60142  388
Found three species comparison        mgc2        qtz         nacf     2.00000     2.00000     2.00000  -291.95443  -296.60142  389
Found three species comparison        mgc2        qtz         nnal     2.00000     2.00000     0.66667  -290.38400  -296.60142  390
Found three species comparison        mgc2        qtz         neph     2.00000     2.00000     2.00000  -288.66118  -296.60142  391
Found three species comparison        mgc2        coes        anao     2.00000     4.00000     1.00000  -289.41874  -296.60142  392
Found three species comparison        mgc2        coes        nacf     2.00000     2.00000     2.00000  -292.60347  -296.60142  393
Found three species comparison        mgc2        coes        nnal     2.00000     2.00000     0.66667  -291.03304  -296.60142  394
Found three species comparison        mgc2        coes        neph     2.00000     2.00000     2.00000  -289.31022  -296.60142  395
Found three species comparison        mgc2        st          anao     2.00000     4.00000     1.00000  -290.24098  -296.60142  396
Found three species comparison        mgc2        st          nacf     2.00000     2.00000     2.00000  -293.01458  -296.60142  397
Found three species comparison        mgc2        st          nnal     2.00000     2.00000     0.66667  -291.44416  -296.60142  398
Found three species comparison        mgc2        st          neph     2.00000     2.00000     2.00000  -289.72134  -296.60142  399
Found three species comparison        mgc2        apbo        anao     2.00000     4.00000     1.00000  -287.82371  -296.60142  400
Found three species comparison        mgc2        apbo        nacf     2.00000     2.00000     2.00000  -291.80595  -296.60142  401
Found three species comparison        mgc2        apbo        nnal     2.00000     2.00000     0.66667  -290.23552  -296.60142  402
Found three species comparison        mgc2        apbo        neph     2.00000     2.00000     2.00000  -288.51270  -296.60142  403
Found three species comparison        mgil        co          namj     3.00000     1.00000     1.00000  -292.19319  -296.60142  404
 Found four species comparison        mgil        namj        qtz         mgcf     2.00000     1.00000     1.00000     1.00000  -290.27201  -296.60142  405
 Found four species comparison        mgil        namj        qtz         mnal     2.40000     0.80000     1.20000     0.40000  -290.37705  -296.60142  406
 Found four species comparison        mgil        namj        coes        mgcf     2.00000     1.00000     1.00000     1.00000  -290.59653  -296.60142  407
 Found four species comparison        mgil        namj        coes        mnal     2.40000     0.80000     1.20000     0.40000  -290.76647  -296.60142  408
 Found four species comparison        mgil        namj        st          mgcf     2.00000     1.00000     1.00000     1.00000  -290.80209  -296.60142  409
 Found four species comparison        mgil        namj        st          mnal     2.40000     0.80000     1.20000     0.40000  -291.01314  -296.60142  410
 Found four species comparison        mgil        namj        apbo        mgcf     2.00000     1.00000     1.00000     1.00000  -290.19777  -296.60142  411
 Found four species comparison        mgil        namj        apbo        mnal     2.40000     0.80000     1.20000     0.40000  -290.28796  -296.60142  412
Found three species comparison        mgil        namj        alpv     3.00000     1.00000     1.00000  -290.19274  -296.60142  413
Found three species comparison        mgil        namj        appv     3.00000     1.00000     1.00000  -287.14716  -296.60142  414
 Found four species comparison        mgil        namj        pe          ky       2.00000     1.00000     0.25000     1.00000  -290.91517  -296.60142  415
 Found four species comparison        mgil        namj        anao        ky       3.20000     0.80000     0.20000     0.80000  -290.60670  -296.60142  416
 Found four species comparison        mgil        namj        mgcf        ky       2.50000     1.00000     0.50000     0.50000  -291.01420  -296.60142  417
 Found four species comparison        mgil        namj        nacf        ky       3.33333     0.66667     0.66667     0.66667  -291.11815  -296.60142  418
 Found four species comparison        mgil        namj        mnal        ky       2.72727     0.90909     0.18182     0.54545  -291.12942  -296.60142  419
 Found four species comparison        mgil        namj        nnal        ky       3.33333     0.66667     0.22222     0.66667  -290.59467  -296.60142  420
 Found four species comparison        mgil        namj        ky          neph     3.33333     0.66667     0.66667     0.66667  -290.02040  -296.60142  421
Found three species comparison        mgil        qtz         anao     4.00000     4.00000     1.00000  -286.00788  -296.60142  422
Found three species comparison        mgil        qtz         nacf     4.00000     2.00000     2.00000  -289.84165  -296.60142  423
Found three species comparison        mgil        qtz         nnal     4.00000     2.00000     0.66667  -288.27122  -296.60142  424
Found three species comparison        mgil        qtz         neph     4.00000     2.00000     2.00000  -286.54840  -296.60142  425
Found three species comparison        mgil        coes        anao     4.00000     4.00000     1.00000  -287.30597  -296.60142  426
Found three species comparison        mgil        coes        nacf     4.00000     2.00000     2.00000  -290.49069  -296.60142  427
Found three species comparison        mgil        coes        nnal     4.00000     2.00000     0.66667  -288.92026  -296.60142  428
Found three species comparison        mgil        coes        neph     4.00000     2.00000     2.00000  -287.19744  -296.60142  429
Found three species comparison        mgil        st          anao     4.00000     4.00000     1.00000  -288.12820  -296.60142  430
Found three species comparison        mgil        st          nacf     4.00000     2.00000     2.00000  -290.90181  -296.60142  431
Found three species comparison        mgil        st          nnal     4.00000     2.00000     0.66667  -289.33138  -296.60142  432
Found three species comparison        mgil        st          neph     4.00000     2.00000     2.00000  -287.60856  -296.60142  433
Found three species comparison        mgil        apbo        anao     4.00000     4.00000     1.00000  -285.71093  -296.60142  434
Found three species comparison        mgil        apbo        nacf     4.00000     2.00000     2.00000  -289.69317  -296.60142  435
Found three species comparison        mgil        apbo        nnal     4.00000     2.00000     0.66667  -288.12275  -296.60142  436
Found three species comparison        mgil        apbo        neph     4.00000     2.00000     2.00000  -286.39992  -296.60142  437
Found three species comparison        co          mgmj        namj     1.00000     0.75000     1.00000  -292.90391  -296.60142  438
 Found four species comparison        co          namj        qtz         pe       1.00000     1.00000     3.00000     0.75000  -288.56329  -296.60142  439
 Found four species comparison        co          namj        coes        pe       1.00000     1.00000     3.00000     0.75000  -289.53685  -296.60142  440
 Found four species comparison        co          namj        st          pe       1.00000     1.00000     3.00000     0.75000  -290.15353  -296.60142  441
 Found four species comparison        co          namj        apbo        pe       1.00000     1.00000     3.00000     0.75000  -288.34058  -296.60142  442
Found three species comparison        co          namj        mgpv     1.00000     1.00000     3.00000  -290.51933  -296.60142  443
Found three species comparison        co          namj        mppv     1.00000     1.00000     3.00000  -286.61359  -296.60142  444
  Found two species comparison        py          namj     1.00000     1.00000  -296.60142  -296.60142  445
 Found four species comparison        mgmj        namj        qtz         mgcf     0.50000     1.00000     1.00000     1.00000  -291.54049  -296.60142  446
 Found four species comparison        mgmj        namj        qtz         mnal     0.60000     0.80000     1.20000     0.40000  -291.83060  -296.60142  447
 Found four species comparison        mgmj        namj        coes        mgcf     0.50000     1.00000     1.00000     1.00000  -291.86501  -296.60142  448
 Found four species comparison        mgmj        namj        coes        mnal     0.60000     0.80000     1.20000     0.40000  -292.22002  -296.60142  449
 Found four species comparison        mgmj        namj        st          mgcf     0.50000     1.00000     1.00000     1.00000  -292.07057  -296.60142  450
 Found four species comparison        mgmj        namj        st          mnal     0.60000     0.80000     1.20000     0.40000  -292.46669  -296.60142  451
 Found four species comparison        mgmj        namj        apbo        mgcf     0.50000     1.00000     1.00000     1.00000  -291.46625  -296.60142  452
 Found four species comparison        mgmj        namj        apbo        mnal     0.60000     0.80000     1.20000     0.40000  -291.74151  -296.60142  453
Found three species comparison        mgmj        namj        alpv     0.75000     1.00000     1.00000  -292.00968  -296.60142  454
Found three species comparison        mgmj        namj        appv     0.75000     1.00000     1.00000  -288.96410  -296.60142  455
 Found four species comparison        mgmj        namj        pe          ky       0.50000     1.00000     0.25000     1.00000  -292.18365  -296.60142  456
 Found four species comparison        mgmj        namj        anao        ky       0.80000     0.80000     0.20000     0.80000  -292.48689  -296.60142  457
 Found four species comparison        mgmj        namj        mgcf        ky       0.62500     1.00000     0.50000     0.50000  -292.55923  -296.60142  458
 Found four species comparison        mgmj        namj        nacf        ky       0.83333     0.66667     0.66667     0.66667  -293.03319  -296.60142  459
 Found four species comparison        mgmj        namj        mnal        ky       0.68182     0.90909     0.18182     0.54545  -292.78118  -296.60142  460
 Found four species comparison        mgmj        namj        nnal        ky       0.83333     0.66667     0.22222     0.66667  -292.50971  -296.60142  461
 Found four species comparison        mgmj        namj        ky          neph     0.83333     0.66667     0.66667     0.66667  -291.93544  -296.60142  462
Found three species comparison        mgmj        qtz         anao     1.00000     4.00000     1.00000  -287.61843  -296.60142  463
Found three species comparison        mgmj        qtz         nacf     1.00000     2.00000     2.00000  -291.45219  -296.60142  464
Found three species comparison        mgmj        qtz         nnal     1.00000     2.00000     0.66667  -289.88176  -296.60142  465
Found three species comparison        mgmj        qtz         neph     1.00000     2.00000     2.00000  -288.15894  -296.60142  466
Found three species comparison        mgmj        coes        anao     1.00000     4.00000     1.00000  -288.91651  -296.60142  467
Found three species comparison        mgmj        coes        nacf     1.00000     2.00000     2.00000  -292.10123  -296.60142  468
Found three species comparison        mgmj        coes        nnal     1.00000     2.00000     0.66667  -290.53080  -296.60142  469
Found three species comparison        mgmj        coes        neph     1.00000     2.00000     2.00000  -288.80798  -296.60142  470
Found three species comparison        mgmj        st          anao     1.00000     4.00000     1.00000  -289.73874  -296.60142  471
Found three species comparison        mgmj        st          nacf     1.00000     2.00000     2.00000  -292.51235  -296.60142  472
Found three species comparison        mgmj        st          nnal     1.00000     2.00000     0.66667  -290.94192  -296.60142  473
Found three species comparison        mgmj        st          neph     1.00000     2.00000     2.00000  -289.21910  -296.60142  474
Found three species comparison        mgmj        apbo        anao     1.00000     4.00000     1.00000  -287.32147  -296.60142  475
Found three species comparison        mgmj        apbo        nacf     1.00000     2.00000     2.00000  -291.30371  -296.60142  476
Found three species comparison        mgmj        apbo        nnal     1.00000     2.00000     0.66667  -289.73329  -296.60142  477
Found three species comparison        mgmj        apbo        neph     1.00000     2.00000     2.00000  -288.01047  -296.60142  478
 Found four species comparison        namj        qtz         mgpv        mgcf     1.00000     1.00000     2.00000     1.00000  -289.89358  -296.60142  479
 Found four species comparison        namj        qtz         mgpv        mnal     0.80000     1.20000     2.40000     0.40000  -289.92293  -296.60142  480
 Found four species comparison        namj        qtz         alpv        pe       1.00000     3.00000     1.00000     0.75000  -287.66906  -296.60142  481
 Found four species comparison        namj        qtz         mppv        mgcf     1.00000     1.00000     2.00000     1.00000  -287.28975  -296.60142  482
 Found four species comparison        namj        qtz         mppv        mnal     0.80000     1.20000     2.40000     0.40000  -286.79834  -296.60142  483
 Found four species comparison        namj        qtz         appv        pe       1.00000     3.00000     1.00000     0.75000  -284.62348  -296.60142  484
 Found four species comparison        namj        qtz         pe          mgcf     1.00000     3.00000     0.50000     1.00000  -288.58956  -296.60142  485
 Found four species comparison        namj        qtz         pe          mnal     0.80000     3.60000     0.60000     0.40000  -288.35810  -296.60142  486
 Found four species comparison        namj        qtz         pe          ky       1.00000     2.00000     0.75000     1.00000  -289.23272  -296.60142  487
 Found four species comparison        namj        coes        mgpv        mgcf     1.00000     1.00000     2.00000     1.00000  -290.21810  -296.60142  488
 Found four species comparison        namj        coes        mgpv        mnal     0.80000     1.20000     2.40000     0.40000  -290.31235  -296.60142  489
 Found four species comparison        namj        coes        alpv        pe       1.00000     3.00000     1.00000     0.75000  -288.64262  -296.60142  490
 Found four species comparison        namj        coes        mppv        mgcf     1.00000     1.00000     2.00000     1.00000  -287.61428  -296.60142  491
 Found four species comparison        namj        coes        mppv        mnal     0.80000     1.20000     2.40000     0.40000  -287.18777  -296.60142  492
 Found four species comparison        namj        coes        appv        pe       1.00000     3.00000     1.00000     0.75000  -285.59704  -296.60142  493
 Found four species comparison        namj        coes        pe          mgcf     1.00000     3.00000     0.50000     1.00000  -289.56312  -296.60142  494
 Found four species comparison        namj        coes        pe          mnal     0.80000     3.60000     0.60000     0.40000  -289.52638  -296.60142  495
 Found four species comparison        namj        coes        pe          ky       1.00000     2.00000     0.75000     1.00000  -289.88176  -296.60142  496
 Found four species comparison        namj        st          mgpv        mgcf     1.00000     1.00000     2.00000     1.00000  -290.42366  -296.60142  497
 Found four species comparison        namj        st          mgpv        mnal     0.80000     1.20000     2.40000     0.40000  -290.55903  -296.60142  498
 Found four species comparison        namj        st          alpv        pe       1.00000     3.00000     1.00000     0.75000  -289.25930  -296.60142  499
 Found four species comparison        namj        st          mppv        mgcf     1.00000     1.00000     2.00000     1.00000  -287.81983  -296.60142  500
 Found four species comparison        namj        st          mppv        mnal     0.80000     1.20000     2.40000     0.40000  -287.43444  -296.60142  501
 Found four species comparison        namj        st          appv        pe       1.00000     3.00000     1.00000     0.75000  -286.21372  -296.60142  502
 Found four species comparison        namj        st          pe          mgcf     1.00000     3.00000     0.50000     1.00000  -290.17980  -296.60142  503
 Found four species comparison        namj        st          pe          mnal     0.80000     3.60000     0.60000     0.40000  -290.26639  -296.60142  504
 Found four species comparison        namj        st          pe          ky       1.00000     2.00000     0.75000     1.00000  -290.29288  -296.60142  505
 Found four species comparison        namj        apbo        mgpv        mgcf     1.00000     1.00000     2.00000     1.00000  -289.81934  -296.60142  506
 Found four species comparison        namj        apbo        mgpv        mnal     0.80000     1.20000     2.40000     0.40000  -289.83384  -296.60142  507
 Found four species comparison        namj        apbo        alpv        pe       1.00000     3.00000     1.00000     0.75000  -287.44635  -296.60142  508
 Found four species comparison        namj        apbo        mppv        mgcf     1.00000     1.00000     2.00000     1.00000  -287.21552  -296.60142  509
 Found four species comparison        namj        apbo        mppv        mnal     0.80000     1.20000     2.40000     0.40000  -286.70926  -296.60142  510
 Found four species comparison        namj        apbo        appv        pe       1.00000     3.00000     1.00000     0.75000  -284.40077  -296.60142  511
 Found four species comparison        namj        apbo        pe          mgcf     1.00000     3.00000     0.50000     1.00000  -288.36684  -296.60142  512
 Found four species comparison        namj        apbo        pe          mnal     0.80000     3.60000     0.60000     0.40000  -288.09085  -296.60142  513
 Found four species comparison        namj        apbo        pe          ky       1.00000     2.00000     0.75000     1.00000  -289.08424  -296.60142  514
Found three species comparison        namj        mgpv        alpv     1.00000     3.00000     1.00000  -291.18823  -296.60142  515
Found three species comparison        namj        mgpv        appv     1.00000     3.00000     1.00000  -286.57951  -296.60142  516
 Found four species comparison        namj        mgpv        pe          ky       1.00000     2.00000     0.25000     1.00000  -290.53674  -296.60142  517
 Found four species comparison        namj        mgpv        anao        ky       0.80000     3.20000     0.20000     0.80000  -290.00121  -296.60142  518
 Found four species comparison        namj        mgpv        mgcf        ky       1.00000     2.50000     0.50000     0.50000  -290.54117  -296.60142  519
 Found four species comparison        namj        mgpv        nacf        ky       0.66667     3.33333     0.66667     0.66667  -290.48743  -296.60142  520
 Found four species comparison        namj        mgpv        mnal        ky       0.90909     2.72727     0.18182     0.54545  -290.61338  -296.60142  521
 Found four species comparison        namj        mgpv        nnal        ky       0.66667     3.33333     0.22222     0.66667  -289.96395  -296.60142  522
 Found four species comparison        namj        mgpv        ky          neph     0.66667     3.33333     0.66667     0.66667  -289.38968  -296.60142  523
Found three species comparison        namj        alpv        mppv     1.00000     1.00000     3.00000  -285.71936  -296.60142  524
Found three species comparison        namj        mppv        appv     1.00000     3.00000     1.00000  -284.23653  -296.60142  525
 Found four species comparison        namj        mppv        pe          ky       1.00000     2.00000     0.25000     1.00000  -287.93292  -296.60142  526
 Found four species comparison        namj        mppv        anao        ky       0.80000     3.20000     0.20000     0.80000  -285.83509  -296.60142  527
 Found four species comparison        namj        mppv        mgcf        ky       1.00000     2.50000     0.50000     0.50000  -287.28639  -296.60142  528
 Found four species comparison        namj        mppv        nacf        ky       0.66667     3.33333     0.66667     0.66667  -286.14772  -296.60142  529
 Found four species comparison        namj        mppv        mnal        ky       0.90909     2.72727     0.18182     0.54545  -287.06271  -296.60142  530
 Found four species comparison        namj        mppv        nnal        ky       0.66667     3.33333     0.22222     0.66667  -285.62425  -296.60142  531
 Found four species comparison        namj        mppv        ky          neph     0.66667     3.33333     0.66667     0.66667  -285.04997  -296.60142  532
Found three species comparison        qtz         mgpv        anao     4.00000     4.00000     1.00000  -285.25102  -296.60142  533
Found three species comparison        qtz         mgpv        nacf     2.00000     4.00000     2.00000  -289.08479  -296.60142  534
Found three species comparison        qtz         mgpv        nnal     2.00000     4.00000     0.66667  -287.51436  -296.60142  535
Found three species comparison        qtz         mgpv        neph     2.00000     4.00000     2.00000  -285.79154  -296.60142  536
Found three species comparison        qtz         mppv        anao     4.00000     4.00000     1.00000  -280.04337  -296.60142  537
Found three species comparison        qtz         mppv        nacf     2.00000     4.00000     2.00000  -283.87714  -296.60142  538
Found three species comparison        qtz         mppv        nnal     2.00000     4.00000     0.66667  -282.30671  -296.60142  539
Found three species comparison        qtz         mppv        neph     2.00000     4.00000     2.00000  -280.58389  -296.60142  540
Found three species comparison        qtz         pe          anao     8.00000     1.00000     1.00000  -283.87817  -296.60142  541
Found three species comparison        qtz         pe          nacf     6.00000     1.00000     2.00000  -286.47674  -296.60142  542
Found three species comparison        qtz         pe          nnal     6.00000     1.00000     0.66667  -284.90632  -296.60142  543
Found three species comparison        qtz         pe          neph     6.00000     1.00000     2.00000  -283.18350  -296.60142  544
Found three species comparison        coes        mgpv        anao     4.00000     4.00000     1.00000  -286.54910  -296.60142  545
Found three species comparison        coes        mgpv        nacf     2.00000     4.00000     2.00000  -289.73383  -296.60142  546
Found three species comparison        coes        mgpv        nnal     2.00000     4.00000     0.66667  -288.16340  -296.60142  547
Found three species comparison        coes        mgpv        neph     2.00000     4.00000     2.00000  -286.44058  -296.60142  548
Found three species comparison        coes        mppv        anao     4.00000     4.00000     1.00000  -281.34146  -296.60142  549
Found three species comparison        coes        mppv        nacf     2.00000     4.00000     2.00000  -284.52618  -296.60142  550
Found three species comparison        coes        mppv        nnal     2.00000     4.00000     0.66667  -282.95575  -296.60142  551
Found three species comparison        coes        mppv        neph     2.00000     4.00000     2.00000  -281.23293  -296.60142  552
Found three species comparison        coes        pe          anao     8.00000     1.00000     1.00000  -286.47433  -296.60142  553
Found three species comparison        coes        pe          nacf     6.00000     1.00000     2.00000  -288.42387  -296.60142  554
Found three species comparison        coes        pe          nnal     6.00000     1.00000     0.66667  -286.85344  -296.60142  555
Found three species comparison        coes        pe          neph     6.00000     1.00000     2.00000  -285.13062  -296.60142  556
Found three species comparison        st          mgpv        anao     4.00000     4.00000     1.00000  -287.37134  -296.60142  557
Found three species comparison        st          mgpv        nacf     2.00000     4.00000     2.00000  -290.14495  -296.60142  558
Found three species comparison        st          mgpv        nnal     2.00000     4.00000     0.66667  -288.57452  -296.60142  559
Found three species comparison        st          mgpv        neph     2.00000     4.00000     2.00000  -286.85170  -296.60142  560
Found three species comparison        st          mppv        anao     4.00000     4.00000     1.00000  -282.16369  -296.60142  561
Found three species comparison        st          mppv        nacf     2.00000     4.00000     2.00000  -284.93730  -296.60142  562
Found three species comparison        st          mppv        nnal     2.00000     4.00000     0.66667  -283.36687  -296.60142  563
Found three species comparison        st          mppv        neph     2.00000     4.00000     2.00000  -281.64405  -296.60142  564
Found three species comparison        st          pe          anao     8.00000     1.00000     1.00000  -288.11881  -296.60142  565
Found three species comparison        st          pe          nacf     6.00000     1.00000     2.00000  -289.65722  -296.60142  566
Found three species comparison        st          pe          nnal     6.00000     1.00000     0.66667  -288.08679  -296.60142  567
Found three species comparison        st          pe          neph     6.00000     1.00000     2.00000  -286.36397  -296.60142  568
Found three species comparison        apbo        mgpv        anao     4.00000     4.00000     1.00000  -284.95407  -296.60142  569
Found three species comparison        apbo        mgpv        nacf     2.00000     4.00000     2.00000  -288.93631  -296.60142  570
Found three species comparison        apbo        mgpv        nnal     2.00000     4.00000     0.66667  -287.36588  -296.60142  571
Found three species comparison        apbo        mgpv        neph     2.00000     4.00000     2.00000  -285.64306  -296.60142  572
Found three species comparison        apbo        mppv        anao     4.00000     4.00000     1.00000  -279.74642  -296.60142  573
Found three species comparison        apbo        mppv        nacf     2.00000     4.00000     2.00000  -283.72866  -296.60142  574
Found three species comparison        apbo        mppv        nnal     2.00000     4.00000     0.66667  -282.15824  -296.60142  575
Found three species comparison        apbo        mppv        neph     2.00000     4.00000     2.00000  -280.43541  -296.60142  576
Found three species comparison        apbo        pe          anao     8.00000     1.00000     1.00000  -283.28427  -296.60142  577
Found three species comparison        apbo        pe          nacf     6.00000     1.00000     2.00000  -286.03132  -296.60142  578
Found three species comparison        apbo        pe          nnal     6.00000     1.00000     0.66667  -284.46089  -296.60142  579
Found three species comparison        apbo        pe          neph     6.00000     1.00000     2.00000  -282.73807  -296.60142  580
 440 pycapvgrmgmj      48.00  24.00   0.00  24.00  16.00   0.00 168.00
Number of non-zero components,phases,Gapp    5    2        -0.03781        19.90000      1873.00000
 441 mgc2pymgmj         8.00   8.00   0.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    3    2        -0.05728        12.50000      1923.00000
 442 endiodicen         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2         1.18738         3.00000      1173.00000
 443 endiodicen         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2        -2.21424         3.00000      1173.00000
 444 endiodicen         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2         1.05722         3.00000      1273.00000
 445 endiodicen         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2        -1.98280         3.00000      1373.00000
 446 endiodicen         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2         1.15137         3.00000      1473.00000
 447 endiodicen         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2        -0.17697         3.00000      1773.00000
 448 endiodicen         4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2         0.43902         3.00000      1773.00000
 449 endiodicen         4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    2         1.00819         3.00000      1173.00000
 450 endiodicen         4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    2         0.01663         3.00000      1173.00000
 451 endiodicen         4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    2         0.41493         3.00000      1273.00000
 452 endiodicen         4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    2         0.10472         3.00000      1373.00000
 453 endiodicen         4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    2        -1.33040         3.00000      1473.00000
 454 endiodicen         4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    2        -0.01047         3.00000      1773.00000
 455 endiodicen         4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    2         0.10935         3.00000      1773.00000
 456 heendifs          12.00   4.00   4.00   4.00   0.00   0.00  36.00
Number of non-zero components,phases,Gapp    5    2        -0.05653         1.50000      1263.00000
 457 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -1.02909        11.00000      1673.00000
 458 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        15.12712        11.00000      1673.00000
 459 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -4.39223        11.00000      1673.00000
 460 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.43702        11.00000      1673.00000
 461 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -1.88814        11.00000      1673.00000
 462 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         3.51700        11.00000      1673.00000
 463 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -5.58734        11.00000      1673.00000
 464 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -2.25547        11.00000      1673.00000
 465 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -4.77582        11.00000      1673.00000
 466 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.53218        11.00000      1673.00000
 467 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -6.35725        11.00000      1673.00000
 468 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -3.81109        11.00000      1673.00000
 469 fowufape           4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -6.94817        11.00000      1673.00000
 470 foalfapy          18.00  12.00  12.00   0.00   8.00   0.00  72.00
Number of non-zero components,phases,Gapp    5    2        -1.43274         0.91000      1273.00000
 471 foalfapy          18.00  12.00  12.00   0.00   8.00   0.00  72.00
Number of non-zero components,phases,Gapp    5    2         2.28641         0.91000      1273.00000
 472 foalfapy          18.00  12.00  12.00   0.00   8.00   0.00  72.00
Number of non-zero components,phases,Gapp    5    2         0.60112         0.91000      1273.00000
 473 foalfapy          18.00  12.00  12.00   0.00   8.00   0.00  72.00
Number of non-zero components,phases,Gapp    5    2        -1.70768         0.91000      1273.00000
 474 foalfapy          18.00  12.00  12.00   0.00   8.00   0.00  72.00
Number of non-zero components,phases,Gapp    5    2         2.55245         0.91000      1273.00000
 475 foalfapy          18.00  12.00  12.00   0.00   8.00   0.00  72.00
Number of non-zero components,phases,Gapp    5    2         4.45750         0.91000      1273.00000
 476 foalfapy          18.00  12.00  12.00   0.00   8.00   0.00  72.00
Number of non-zero components,phases,Gapp    5    2         3.60781         0.91000      1273.00000
 477 foalfapy          18.00  12.00  12.00   0.00   8.00   0.00  72.00
Number of non-zero components,phases,Gapp    5    2        -9.43442         0.91000      1273.00000
 478 foalfapy          18.00  12.00  12.00   0.00   8.00   0.00  72.00
Number of non-zero components,phases,Gapp    5    2         1.99095         0.91000      1273.00000
 479 foalfapy          18.00  12.00  12.00   0.00   8.00   0.00  72.00
Number of non-zero components,phases,Gapp    5    2        -2.62578         0.91000      1273.00000
 480 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         3.19302        23.50000      1773.00000
 481 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         3.05864        23.50000      1773.00000
 482 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         3.26411        23.50000      1773.00000
 483 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         3.00808        23.50000      1773.00000
 484 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.45942        23.50000      1773.00000
 485 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.29875        23.50000      1773.00000
 486 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.35456        22.00000      1773.00000
 487 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.94430        22.00000      1773.00000
 488 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.72055        22.00000      1773.00000
 489 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         3.08593        22.00000      1773.00000
 490 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -2.28236        17.50000      1673.00000
 491 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.86801        17.50000      1673.00000
 492 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.67743        17.50000      1673.00000
 493 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.60386        17.50000      1673.00000
 494 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.30252        17.50000      1673.00000
 495 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.62155        17.50000      1673.00000
 496 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.44507        17.50000      1673.00000
 497 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -2.66919        17.50000      1673.00000
 498 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.32624        17.50000      1673.00000
 499 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.98909        17.50000      1673.00000
 500 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.17900        21.50000      1773.00000
 501 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.82423        21.50000      1773.00000
 502 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -2.75063        21.50000      1773.00000
 503 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.37419        21.50000      1773.00000
 504 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.67970        21.50000      1773.00000
 505 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.98733        21.50000      1773.00000
 506 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -1.17356        21.50000      1773.00000
 507 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -3.04885        17.50000      1873.00000
 508 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -4.92897        17.50000      1873.00000
 509 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -3.74877        17.50000      1873.00000
 510 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -3.45152        17.50000      1873.00000
 511 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -3.13874        17.50000      1873.00000
 512 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.73182        17.50000      1473.00000
 513 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -1.62003        17.50000      1473.00000
 514 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         5.79086        17.50000      1473.00000
 515 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         4.30344        17.50000      1473.00000
 516 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         5.48666        17.50000      1473.00000
 517 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.52576        11.00000      1273.00000
 518 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.93605        11.00000      1273.00000
 519 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -1.03851        11.00000      1273.00000
 520 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         2.14218        21.50000      1873.00000
 521 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.22104        21.50000      1873.00000
 522 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         4.15134        21.50000      1873.00000
 523 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.81206        21.50000      1873.00000
 524 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.07385        21.50000      1873.00000
 525 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.44772        21.00000      1873.00000
 526 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -1.23164        21.00000      1873.00000
 527 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.79267        21.00000      1873.00000
 528 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.45485        21.00000      1873.00000
 529 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.36091        21.00000      1873.00000
 530 mgriwuferipe       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.41263        21.00000      1873.00000
 531 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.50408        14.50000      1673.00000
 532 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.05363        14.50000      1673.00000
 533 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.06551        14.50000      1673.00000
 534 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.36259        14.50000      1673.00000
 535 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.13672        14.50000      1673.00000
 536 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.68049        14.50000      1673.00000
 537 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -2.10102        14.00000      1673.00000
 538 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -1.72988        14.00000      1673.00000
 539 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -1.43071        14.00000      1673.00000
 540 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -1.86056        14.00000      1673.00000
 541 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.08971        14.00000      1673.00000
 542 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.34615        13.20000      1673.00000
 543 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.06251        13.20000      1673.00000
 544 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.29223        13.00000      1673.00000
 545 pefewawumgwa       4.00   8.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.09536        13.00000      1673.00000
 546 fofewafamgwa       2.00   0.00   4.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    3    2         2.18849        12.87000      1673.00000
 547 mgwaferifewamgri   2.00   0.00   4.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    3    2         0.98507        12.87000      1673.00000
 548 mgpvwufepvpe       8.00   8.00   8.00   0.00   0.00   0.00  32.00
Number of non-zero components,phases,Gapp    4    2        -0.33283        25.00000      2000.00000
 549 mgpvwufepvpe       8.00   8.00   8.00   0.00   0.00   0.00  32.00
Number of non-zero components,phases,Gapp    4    2        -0.03001        25.00000      2541.00000
 550 mgilfepvfeilmgpv   4.00   2.00   2.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2         0.04535        25.50000      1373.00000
 551 mgilfepvfeilmgpv   4.00   2.00   2.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2        -0.00677        24.00000      2073.00000
 552 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2         0.37174         0.00000      1573.00000
 553 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2        -2.31274         0.00000      1573.00000
 554 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2         1.58904         0.00000      1573.00000
 555 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2         0.56878         0.00000      1573.00000
 556 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2         0.56878         0.00000      1573.00000
 557 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2        -0.88199         0.00000      1573.00000
 558 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2        -1.41620         0.00000      1573.00000
 559 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2         1.48998         0.00000      1573.00000
 560 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2         1.28647         0.00000      1573.00000
 561 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2        -0.62364         0.00000      1573.00000
 562 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2        -0.82209         0.00000      1573.00000
 563 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2        -2.92730         0.00000      1573.00000
 564 fohcfasp           4.00   8.00   8.00   0.00  16.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    2         2.20939         0.00000      1573.00000
 565 mgtsencopy        24.00  24.00   0.00   0.00  16.00   0.00  96.00
Number of non-zero components,phases,Gapp    4    3        -1.52179         1.65000      1123.00000
 566 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -1.06932         2.16500      1173.00000
 567 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -2.82361         2.41000      1173.00000
 568 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -3.01213         2.59000      1173.00000
 569 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.42288         2.79500      1173.00000
 570 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.12669         3.00000      1173.00000
 571 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.42669         2.07000      1373.00000
 572 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.80003         2.15300      1373.00000
 573 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.74453         2.30500      1373.00000
 574 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.44258         2.40000      1373.00000
 575 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.38871         2.50000      1373.00000
 576 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.11132         2.62500      1373.00000
 577 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.55397         2.81000      1373.00000
 578 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.02456         3.00000      1373.00000
 579 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.50234         3.14000      1373.00000
 580 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.87829         3.49000      1373.00000
 581 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.05654         3.99000      1373.00000
 582 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.91337         2.27700      1573.00000
 583 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.43912         2.71400      1573.00000
 584 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.00983         3.30500      1573.00000
 585 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.56409         3.67300      1573.00000
 586 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2        -0.42238         4.01500      1573.00000
 587 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         2.06450         2.83100      1773.00000
 588 mgtsenpy           6.00   6.00   0.00   0.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    4    2         1.64976         3.53600      1773.00000
 589 enspmgtsfo        16.00  24.00   0.00   0.00  16.00   0.00  80.00
Number of non-zero components,phases,Gapp    4    3        -2.36336         1.38000      1773.00000
 590 enspmgtsfo        16.00  24.00   0.00   0.00  16.00   0.00  80.00
Number of non-zero components,phases,Gapp    4    3        -2.66142         1.77000      1773.00000
 591 enspmgtsfo        16.00  24.00   0.00   0.00  16.00   0.00  80.00
Number of non-zero components,phases,Gapp    4    3        -0.16367         2.17000      1773.00000
 592 enspmgtsfo        16.00  24.00   0.00   0.00  16.00   0.00  80.00
Number of non-zero components,phases,Gapp    4    3        -1.03744         2.56000      1773.00000
 593 enspmgtsfo        16.00  24.00   0.00   0.00  16.00   0.00  80.00
Number of non-zero components,phases,Gapp    4    3         2.69128         0.99000      1573.00000
 594 enspmgtsfo        16.00  24.00   0.00   0.00  16.00   0.00  80.00
Number of non-zero components,phases,Gapp    4    3         2.58133         1.37000      1573.00000
 595 mgtsdicencatseno   6.00   4.00   0.00   2.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    5    2        -0.67380         2.70000      1773.00000
 596 mgtsdicencatseno   4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    2        -0.51120         2.70000      1773.00000
 597 mgtsdicencatseno   4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2        -0.20720         2.70000      1773.00000
 598 mgtsdicencatseno   6.00   4.00   0.00   2.00   4.00   0.00  24.00
Number of non-zero components,phases,Gapp    5    2         0.62886         2.50000      1173.00000
 599 mgtsdicencatseno   4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    2         0.80566         2.50000      1173.00000
 600 mgtsdicencatseno   4.00   2.00   0.00   2.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    4    2         0.86570         2.50000      1173.00000
 601 grpycendicats     10.00   4.00   0.00   6.00   4.00   0.00  36.00
Number of non-zero components,phases,Gapp    5    2         0.00344         2.50000      1173.00000
 602 grpycodicatscen   12.00   6.00   0.00   6.00   8.00   0.00  48.00
Number of non-zero components,phases,Gapp    5    3        -0.03473         3.25000      1573.00000
 603 mppvwulsfppvpe     8.00   8.00   8.00   0.00   0.00   0.00  32.00
Number of non-zero components,phases,Gapp    4    2        -0.09318       121.50000      2140.00000
 604 mppvwulsfppvpe     8.00   8.00   8.00   0.00   0.00   0.00  32.00
Number of non-zero components,phases,Gapp    4    2         0.01012       121.50000      4000.00000
 605 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3         6.96519         0.85000       873.00000
 606 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3        -6.11987         0.85000       873.00000
 607 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3         3.97043         1.00000       873.00000
 608 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3        -6.63903         1.00000       873.00000
 609 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3        -5.99519         1.00000       873.00000
 610 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3        -5.99519         1.00000       873.00000
 611 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3         1.69188         1.10000       873.00000
 612 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3        -3.59552         1.10000       873.00000
 613 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3         6.45511         1.10000       873.00000
 614 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3        -0.98373         1.15000       873.00000
 615 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3        -2.21522         1.15000       873.00000
 616 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3         6.19589         1.20000       873.00000
 617 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3        -1.58021         1.20000       873.00000
 618 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3         8.34340         1.30000       873.00000
 619 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3        -3.64941         1.30000       873.00000
 620 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3         1.28802         1.30000       873.00000
 621 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3        -3.64941         1.30000       873.00000
 622 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3        -4.28984         1.30000       873.00000
 623 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3         1.19775         1.50000       873.00000
 624 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3         2.26379         1.60000       873.00000
 625 jddiqtzab         12.00   0.00   0.00   0.00   4.00   4.00  32.00
Number of non-zero components,phases,Gapp    4    3         7.30184         0.86000       873.00000
 626 mgc2cenjd          4.00   4.00   0.00   0.00   0.00   0.00  12.00
Number of non-zero components,phases,Gapp    3    2        -0.02205        13.50000      1923.00000
 627 mgc2mgmjnamjpy     8.00   8.00   0.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    3    2         0.01433        14.00000      1923.00000
 628 mnalnacfnnalmgcf   6.00   0.00   0.00   0.00   6.00   6.00  24.00
Number of non-zero components,phases,Gapp    4    2         0.01082        23.00000      1873.00000
 629 mnalnnalnacfmgcf   2.00   4.00   0.00   0.00  10.00   2.00  24.00
Number of non-zero components,phases,Gapp    5    2         0.02805        23.00000      1873.00000
 630 mnalmgcfnacf       2.00   4.00   0.00   0.00  10.00   2.00  24.00
Number of non-zero components,phases,Gapp    5    2        -0.04195        25.00000      1873.00000
 631 fnalmgcfmnalfecf   2.00   4.00   4.00   0.00  18.00   2.00  40.00
Number of non-zero components,phases,Gapp    6    2         0.67824        23.00000      1673.00000
 632 fnalmgcfmnalfecf   2.00   4.00   4.00   0.00  18.00   2.00  40.00
Number of non-zero components,phases,Gapp    6    2        -0.65123        23.00000      2073.00000
 633 fepvmgcfmgpvfecf   2.00   2.00   2.00   0.00   4.00   0.00  14.00
Number of non-zero components,phases,Gapp    5    2        -0.41104        60.00000      2000.00000
 634 fepvmgcfmgpvfecf   2.00   2.00   2.00   0.00   4.00   0.00  14.00
Number of non-zero components,phases,Gapp    5    2         0.33840        60.00000      2400.00000
 635 mgilcomgpvalpv     0.00   0.00   0.00   0.00   4.00   0.00   6.00
Number of non-zero components,phases,Gapp    2    2         0.00475        27.00000      2300.00000
 636 mgilcomgpvalpv     2.00   2.00   0.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    2         0.00246        27.00000      2300.00000
 637 pewulspewu         0.00   0.00   8.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    2    1        -0.00689        52.10000       300.00000
 638 pewulspewu         0.00   0.00   8.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    2    1         0.44656        68.80000       300.00000
 639 pewulspewu         0.00   0.00   8.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    2    1        -0.22530        59.60000       300.00000
 640 pewulspewu         0.00   0.00   8.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    2    1        -0.22528        78.00000       300.00000
 641 pewulspewu         0.00   0.00   8.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    2    1        -0.00861        95.00000      2000.00000
 642 mgpvflpvmgpvfepv   2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1        -0.00831       572.00000       300.00000
 643 mgpvflpvmgpvfepv   2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1        -0.00028       533.00000       300.00000
 644 mgpvflpvmgpvfepv   2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1        -0.00223       568.00000       300.00000
 645 mgpvflpvmgpvfepv   2.00   0.00   2.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    3    1         0.00514       540.00000      2000.00000
 646 fepvmgpvhepvfegs   6.00   0.00   6.00   0.00   0.00   0.00  18.00
Number of non-zero components,phases,Gapp    3    3        -0.00848        26.00000      1973.00000
 647 mgpvhepvmgpvhlpv   0.00   0.00   4.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    2    1        -0.02016        48.50000       300.00000
 648 mgpvhepvmgpvhlpv   0.00   0.00   4.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    2    1        -0.00989        76.00000      2000.00000
 649 hppvlppv           0.00   0.00   4.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    2    1        -0.00042       200.00000       300.00000
 650 hppvlppv           0.00   0.00   4.00   0.00   0.00   0.00   6.00
Number of non-zero components,phases,Gapp    2    1        -0.00047       227.00000      2000.00000
 651 hmagmag            0.00   0.00   6.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    2    2         0.02502         9.60950      1073.00000
 652 hmagmag            0.00   0.00   6.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    2    2         0.02854        10.50950      1673.00000
 653 magfegwu           0.00   0.00   8.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    2    2         0.78410         0.00000      1473.00000
 654 magfegwupe         0.00   0.00   8.00   0.00   0.00   0.00   8.00
Number of non-zero components,phases,Gapp    2    2        -0.68842         0.00000      1473.00000
 655 fepvmgpvwupest     8.00   0.00   8.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    3    3        -0.21674        22.00000      2273.00000
 656 fepvmgpvwupest     8.00   8.00   0.00   0.00   0.00   0.00  24.00
Number of non-zero components,phases,Gapp    3    3        -1.69359        22.00000      2273.00000
 Total number of comparisons =        23695
                                 Back from phsset
           5  -2192.5000267212472       -2192500.0267212470        0.0000000000000000     
           6  -1564.8457569288873       -1564845.7569288872        0.0000000000000000     
          15  -3230.9296672986825       -3230929.6672986825        0.0000000000000000     
          19  -3048.4199699285718       -3048419.9699285720        0.0000000000000000     
          25  -1669.3931571437745       -1669393.1571437744        0.0000000000000000     
          26  -846.06781862843911       -846067.81862843921        0.0000000000000000     
          32  -916.75286092436670       -916752.86092436663        0.0000000000000000     
          48  -2442.1699703339555       -2442169.9703339553        0.0000000000000000     
          62  -45.384024418896274       -45384.024418896275        0.0000000000000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T
 func =   0.80718467309416364       0.80703882963356377                1         132          64          42          25           1
 Back from func Residual =   0.80718467309416364     
 Begin derivative calculation
 WARNING: Volume failed for logical reasons   149.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   117.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   101.00000000000000        2250.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   104.00000000000000        2375.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   113.00000000000000        2100.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   116.00000000000000        2250.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   124.00000000000000        2180.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   128.00000000000000        2420.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   141.00000000000000        2040.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   151.00000000000000        2090.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.00000000000000        800.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.00000000000000        800.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   127.00000000000000        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   127.00000000000000        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   122.90000000000001        2800.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   129.09999999999999        3750.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   139.40000000000001        3680.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   144.00000000000000        3960.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   136.09999999999999        1640.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   146.40000000000001        2560.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   145.09999999999999        3200.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   158.50000000000000        2690.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   169.09999999999999        4100.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   171.00000000000000        4380.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   149.30000000000001        4200.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   131.69999999999999        3680.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   119.00000000000000        2520.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   133.19999999999999        2170.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   135.80000000000001        2750.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   102.20000000000000        1870.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   101.09999999999999        1930.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.40000000000001        1600.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   96.900000000000006        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   97.900000000000006        2480.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   105.20000000000000        2180.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.20000000000000        2560.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.20000000000000        1820.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.59999999999999        1670.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   99.900000000000006        2900.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   103.09999999999999        2840.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   157.09999999999999        2570.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   169.69999999999999        2290.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   145.30000000000001        3110.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   142.50000000000000        3540.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   156.30000000000001        2980.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   186.00000000000000        2590.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   186.00000000000000        2590.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   158.40000000000001        3170.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   158.40000000000001        3170.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   164.00000000000000        2990.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   164.00000000000000        2990.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   148.90000000000001        3510.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   148.90000000000001        3510.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   161.90000000000001        2950.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   161.90000000000001        2950.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   137.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   175.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        2140.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        2140.0000000000000               61  -2.0000000000000000        53.868398470273199     
 WARNING: Volume failed for logical reasons   121.50000000000000        4000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        4000.0000000000000               61  -2.0000000000000000        53.868398470273199     
 WARNING: Volume failed for logical reasons   95.000000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                3  -2.0000000000000000        159.04800000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               11  -2.0000000000000000        62.676000000000002     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               13  -2.0000000000000000        59.140000000000001     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   200.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   200.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   227.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   227.00000000000000        2000.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000                3  -2.0000000000000000        159.04800000000000     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000               26  -2.0000000000000000        30.286999999999999     
 End derivative calculation
    -0.43306E-01     0.57254E-02    -0.67540E-01     0.11335E+00    -0.87385E-02    -0.22303E-02     0.12427E+00     0.87726E-02     0.19665E+00     0.91533E-03    -0.31996E-01    -0.13958E-01    -0.20525E-01    -0.83564E-01    -0.11176E-02     0.27917E-01    -0.44998E-01    -0.11253E-01     0.92521E-02     0.10309E-02     0.00000E+00     0.46303E-01     0.43922E+00     0.85728E-01     0.18751E-01     0.16318E+00    -0.72309E-01    -0.35309E-01    -0.33822E-01    -0.30836E-01    -0.17067E-01    -0.99892E-02     0.56619E-03    -0.57078E-02    -0.84491E-02    -0.60693E+00     0.71305E-01     0.42199E-01     0.71729E-01    -0.26705E+00     0.00000E+00     0.50463E-01    -0.17661E+00    -0.94169E-01     0.20195E-26     0.79214E-02    -0.79214E-02    -0.35550E-01     0.40528E-01     0.91286E-01     0.12622E-25    -0.89321E-01     0.33805E-01    -0.10231E+00    -0.23357E-01    -0.24289E+00     0.11901E-01    -0.48984E-02     0.54517E-02     0.28871E-01    -0.30292E-26     0.36275E+00    -0.48720E-01    -0.24630E+00     0.12149E-02    -0.17272E-01     0.11980E+00     0.72034E-01     0.21739E-02     0.64241E-03     0.51803E-01    -0.46353E-02    -0.38985E-01     0.15339E+00     0.87783E-01    -0.63814E-01     0.00000E+00     0.10724E-01     0.66387E-01     0.11858E-01    -0.21495E-01     0.12889E-01    -0.36706E-02    -0.27090E-01    -0.14207E-01     0.38293E-01     0.11594E-01    -0.32901E-01    -0.23899E-01    -0.12055E-01    -0.13156E+00    -0.21599E-01     0.50487E-27     0.11508E-02    -0.10880E-02     0.32332E-01     0.37471E-26     0.68339E-02    -0.12345E-01
    -0.89632E-02    -0.83989E-01    -0.18646E-01     0.26843E-01     0.49303E-02     0.18703E-01    -0.34634E-01     0.40826E-01    -0.20661E+00     0.12330E-03     0.84577E-01     0.29555E-01     0.00000E+00     0.26369E-01    -0.36711E-01    -0.97636E-01    -0.14417E-01     0.16885E-01    -0.12985E+00    -0.63435E-02     0.18949E-01     0.25594E-01     0.28355E-01     0.81287E-01    -0.89015E-01     0.38968E-01     0.94708E-02    -0.85688E-01     0.67441E-01     0.15963E-04    -0.85492E-02     0.15595E-02     0.13997E-01
 Residual =   0.80718467309416364     
-0.43306E-04 0.57254E-05-0.67540E-04 0.11335E-03-0.87385E-05-0.22303E-05 0.12427E-03 0.87726E-05 0.19665E-03 0.91533E-06-0.31996E-04-0.13958E-04-0.20525E-04-0.83564E-04-0.11176E-05 0.27917E-04-0.44998E-04-0.11253E-04 0.92521E-05 0.10309E-05 0.00000E+00 0.46303E-04 0.43922E-03 0.85728E-04 0.18751E-04 0.16318E-03-0.72309E-04-0.35309E-04-0.33822E-04-0.30836E-04-0.17067E-04-0.99892E-05 0.56619E-06-0.57078E-05-0.84491E-05-0.60693E-03 0.71305E-04 0.42199E-04 0.71729E-04-0.26705E-03 0.00000E+00 0.50463E-04-0.17661E-03-0.94169E-04 0.20195E-29 0.79214E-05-0.79214E-05-0.35550E-04 0.40528E-04 0.91286E-04 0.12622E-28-0.89321E-04 0.33805E-04-0.10231E-03-0.23357E-04-0.24289E-03 0.11901E-04-0.48984E-05 0.54517E-05 0.28871E-04-0.30292E-29 0.36275E-03-0.48720E-04-0.24630E-03 0.12149E-05-0.17272E-04 0.11980E-03 0.72034E-04 0.21739E-05 0.64241E-06 0.51803E-04-0.46353E-05-0.38985E-04 0.15339E-03 0.87783E-04-0.63814E-04 0.00000E+00 0.10724E-04 0.66387E-04 0.11858E-04-0.21495E-04 0.12889E-04-0.36706E-05-0.27090E-04-0.14207E-04 0.38293E-04 0.11594E-04-0.32901E-04-0.23899E-04-0.12055E-04-0.13156E-03-0.21599E-04 0.50487E-30 0.11508E-05-0.10880E-05 0.32332E-04 0.37471E-29 0.68339E-05-0.12345E-04-0.89632E-05-0.83989E-04-0.18646E-04 0.26843E-04 0.49303E-05 0.18703E-04-0.34634E-04 0.40826E-04-0.20661E-03 0.12330E-06 0.84577E-04 0.29555E-04 0.00000E+00 0.26369E-04-0.36711E-04-0.97636E-04-0.14417E-04 0.16885E-04-0.12985E-03-0.63435E-05 0.18949E-04 0.25594E-04 0.28355E-04 0.81287E-04-0.89015E-04 0.38968E-04 0.94708E-05-0.85688E-04 0.67441E-04 0.15963E-07-0.85492E-05 0.15595E-05 0.13997E-04
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   16  12.10 1025. mgwa                fo                   -1684.456 -1684.583     7.000     0.018     0.000
   21  22.46 2173. mgwa                mgri                 -1667.931 -1668.515     7.000     0.083     0.007
   22  14.98  923. mgri                mgwa                 -1548.393 -1548.638     7.000     0.035     0.009
   31  22.49 2383. mgri                mgwa                 -1749.023 -1749.335     7.000     0.044     0.010
   31  22.49 2383. mgri                mgpv+pe              -1749.023 -1749.181     7.000     0.023     0.011
   32  24.61 1544. mgri                mgil+pe              -1369.358 -1369.512     7.000     0.022     0.011
   32  24.61 1544. mgri                mgpv+pe              -1369.358 -1369.895     7.000     0.077     0.017
   33  22.49 2383. mgpvpe              mgwa                 -6996.725 -6997.338    28.000     0.022     0.018
   35   0.00  823. en                  fo  +qtz             -3043.735 -3043.910    10.000     0.018     0.018
   50   8.50 1373. mgc2                en                   -2743.127 -2743.153    10.000     0.003     0.018
   51  10.70 1973. mgc2                en                   -2914.369 -2914.386    10.000     0.002     0.018
   57  11.80 2373. mgc2                en                   -3076.626 -3076.667    10.000     0.004     0.018
   61  16.50 2473. mgmj                en                   -5720.103 -5720.275    20.000     0.009     0.018
   61  16.50 2473. mgmj                mgc2                 -5720.103 -5720.249    20.000     0.007     0.018
   63  20.00 1273. mgil                mgri+st              -1034.238 -1034.472     5.000     0.047     0.020
   64  20.00 1873. mgil                mgwa+st              -1168.673 -1168.739     5.000     0.013     0.021
   66  23.43 1673. mgpv                mgil                 -1035.345 -1035.652     5.000     0.062     0.024
   69  22.41 1873. mgpv                mgil                 -1108.433 -1108.580     5.000     0.029     0.025
   76  16.00 1473. mgwast              mgc2                 -2356.415 -2356.469    10.000     0.005     0.025
   78  18.00 1873. mgwast              mgmj                 -2441.035 -2441.174    10.000     0.014     0.026
   80  19.10 1673. mgrist              mgwa+st              -2287.053 -2287.104    10.000     0.005     0.026
   99  19.80 1473. wust                st  +wu              -1829.523 -1829.523    14.000     0.000     0.026
  100  17.40 1473. wust                feri                 -2004.882 -2005.148    14.000     0.019     0.026
  100  17.40 1473. wust                st  +wu              -2004.882 -2004.882    14.000     0.000     0.026
  101  17.70 1673. wust                st  +wu              -2143.183 -2143.183    14.000     0.000     0.026
  102  17.40 1873. wust                feri                 -2334.550 -2334.665    14.000     0.008     0.026
  102  17.40 1873. wust                st  +wu              -2334.550 -2334.550    14.000     0.000     0.026
  106   5.18 1273. fa                  feri                 -1424.134 -1424.306     7.000     0.025     0.027
  107   5.14 1273. fa                  feri                 -1425.967 -1425.978     7.000     0.002     0.027
  128   0.00 1665. di                  odi                  -3545.936 -3546.059    10.000     0.012     0.027
  128   0.00 1665. di                  di                   -3545.936 -3545.936    10.000     0.000     0.027
  129  14.00 2400. di                  di                   -3043.213 -3043.213    10.000     0.000     0.027
  130  17.00 1273. di                  di                   -2267.152 -2267.152    10.000     0.000     0.027
  131  17.50 1473. di                  di                   -2327.498 -2327.498    10.000     0.000     0.027
  132  17.50 1673. di                  di                   -2424.738 -2424.738    10.000     0.000     0.027
  133  17.50 1473. di                  di                   -2327.498 -2327.498    10.000     0.000     0.027
  134  16.50 1873. di                  di                   -2589.014 -2589.014    10.000     0.000     0.027
  135  17.50 2073. di                  di                   -2636.948 -2636.948    10.000     0.000     0.027
  136  17.50 1273. capvmgwast          mgwa+capv+st         -4475.873 -4475.873    20.000     0.000     0.027
  136  17.50 1273. capvmgwast          mgri+capv+st         -4475.873 -4476.205    20.000     0.017     0.027
  137  18.00 1273. capvmgwast          mgwa+capv+st         -4423.812 -4423.812    20.000     0.000     0.027
  137  18.00 1273. capvmgwast          mgri+capv+st         -4423.812 -4424.541    20.000     0.036     0.028
  138  18.00 1473. capvmgwast          mgwa+capv+st         -4598.406 -4598.406    20.000     0.000     0.028
  140  19.00 1473. capvmgrist          mgri+capv+st         -4494.744 -4494.744    20.000     0.000     0.028
  141  20.00 1473. capvmgrist          mgri+capv+st         -4391.572 -4391.572    20.000     0.000     0.028
  142  20.50 1473. capvmgrist          mgri+capv+st         -4340.131 -4340.131    20.000     0.000     0.028
  142  20.50 1473. capvmgrist          capv+mgil            -4340.131 -4340.149    20.000     0.001     0.028
  143  20.00 1673. capvmgrist          mgri+capv+st         -4578.371 -4578.371    20.000     0.000     0.028
  149  22.00 2073. capvmgil            capv+mgpv            -2390.731 -2391.697    10.000     0.097     0.038
  153  24.27 1673. capvco              capv+co              -4370.982 -4370.982    20.000     0.000     0.038
  155 101.00 2250. st                  st                     268.938   268.938     3.000     0.000     0.038
  156 104.00 2375. st                  st                     286.305   286.305     3.000     0.000     0.038
  157 113.00 2100. st                  st                     425.754   425.754     3.000     0.000     0.038
  159 124.00 2180. apbo                apbo                   537.942   537.942     3.000     0.000     0.038
  160 128.00 2420. apbo                apbo                   549.952   549.952     3.000     0.000     0.038
  161 141.00 2040. apbo                apbo                   739.818   739.818     3.000     0.000     0.038
  162 151.00 2090. apbo                apbo                   840.208   840.208     3.000     0.000     0.038
  163 106.00  800. st                  st                     476.375   476.375     3.000     0.000     0.038
  164 106.00  800. apbo                st                     476.376   476.375     3.000     0.000     0.038
  164 106.00  800. apbo                apbo                   476.376   476.376     3.000     0.000     0.038
  165 127.00 3000. st                  st                     455.068   455.068     3.000     0.000     0.038
  165 127.00 3000. st                  apbo                   455.068   455.067     3.000     0.000     0.038
  166 127.00 3000. apbo                apbo                   455.067   455.067     3.000     0.000     0.038
  167 122.90 2800. mgpv                mgpv                   754.693   754.693     5.000     0.000     0.038
  168 129.10 3750. mgpv                mgpv                   600.511   600.511     5.000     0.000     0.038
  169 139.40 3680. mppv                mgpv                   817.258   817.212     5.000     0.009     0.038
  169 139.40 3680. mppv                mppv                   817.258   817.258     5.000     0.000     0.038
  170 144.00 3960. mppv                mgpv                   818.816   818.606     5.000     0.042     0.040
  170 144.00 3960. mppv                mppv                   818.816   818.816     5.000     0.000     0.040
  171 136.10 1640. mppv                mppv                  1261.816  1261.816     5.000     0.000     0.040
  172 146.40 2560. mppv                mppv                  1246.120  1246.120     5.000     0.000     0.040
  173 145.10 3200. mppv                mppv                  1057.089  1057.089     5.000     0.000     0.040
  174 158.50 2690. mppv                mppv                  1430.148  1430.148     5.000     0.000     0.040
  175 169.10 4100. mppv                mppv                  1229.598  1229.598     5.000     0.000     0.040
  176 171.00 4380. mppv                mppv                  1178.180  1178.180     5.000     0.000     0.040
  177 149.30 4200. mgpv                mgpv                   843.104   843.104     5.000     0.000     0.040
  177 149.30 4200. mgpv                mppv                   843.104   842.889     5.000     0.043     0.041
  178 131.70 3680. mgpv                mgpv                   671.374   671.374     5.000     0.000     0.041
  179 119.00 2520. mgpv                mgpv                   753.418   753.418     5.000     0.000     0.041
  179 119.00 2520. mgpv                mppv                   753.418   753.375     5.000     0.009     0.041
  180 133.20 2170. mppv                mppv                  1098.666  1098.666     5.000     0.000     0.041
  181 135.80 2750. mppv                mppv                  1006.438  1006.438     5.000     0.000     0.041
  185  45.00    1. peco                mgcf                 -2485.803 -2485.808    28.000     0.000     0.041
  186  27.00 2073. mgcf                mgcf                 -1658.422 -1658.422     7.000     0.000     0.041
  187  27.00 2173. mgcf                mgcf                 -1696.608 -1696.608     7.000     0.000     0.041
  188  27.00 1873. mgcf                mgcf                 -1584.809 -1584.809     7.000     0.000     0.041
  189  45.00    1. mgcf                mgcf                  -621.452  -621.452     7.000     0.000     0.041
  190  22.00 1073. jdst                jd  +st              -2376.144 -2376.144    13.000     0.000     0.041
  191  22.00 1273. jdst                jd  +st              -2476.959 -2476.959    13.000     0.000     0.041
  192  22.00 1473. jdst                jd  +st              -2587.931 -2587.931    13.000     0.000     0.041
  196   1.65  873. jdqtz               ab                   -3765.137 -3765.190    13.000     0.004     0.041
  196   1.65  873. jdqtz               jd  +qtz             -3765.137 -3765.137    13.000     0.000     0.041
  198   2.20 1073. jdqtz               jd  +qtz             -3817.497 -3817.497    13.000     0.000     0.041
  200   2.50 1173. jdqtz               jd  +qtz             -3846.189 -3846.189    13.000     0.000     0.041
  202   2.75 1273. jdqtz               jd  +qtz             -3881.759 -3881.759    13.000     0.000     0.041
  205   3.00 1373. jdqtz               jd  +qtz             -3919.856 -3919.856    13.000     0.000     0.041
  207   3.30 1473. jdqtz               jd  +qtz             -3956.146 -3956.146    13.000     0.000     0.041
  226   9.32 1478. st                  coes                  -784.139  -784.159     3.000     0.007     0.042
  234   2.54  773. qtz                 coes                  -835.268  -835.270     3.000     0.001     0.042
  235   2.62  873. qtz                 coes                  -843.252  -843.290     3.000     0.013     0.042
  236   2.68  973. qtz                 coes                  -852.520  -852.531     3.000     0.004     0.042
  237   2.78 1073. qtz                 coes                  -861.678  -861.701     3.000     0.007     0.042
  243   2.48  673. coes                qtz                   -827.755  -827.785     3.000     0.010     0.042
  250   2.87 1173. coes                qtz                   -871.748  -871.764     3.000     0.005     0.042
  253   2.98 1273. coes                qtz                   -882.012  -882.061     3.000     0.016     0.042
  256   2.85 1773. cats                co  +gr              -3515.864 -3515.922    10.000     0.006     0.042
  257   1.77 1573. grco                cats                -10438.803-10438.949    30.000     0.005     0.042
  257   1.77 1573. grco                co  +gr             -10438.803-10438.803    30.000     0.000     0.042
  258   2.33 1673. grco                co  +gr             -10488.187-10488.187    30.000     0.000     0.042
  259   2.88 1773. grco                co  +gr             -10542.547-10542.547    30.000     0.000     0.042
  274   3.00 1673. an                  an                  -13188.178-13188.178    39.000     0.000     0.042
  275   3.00 1623. grkyqtz             gr  +qtz +ky        -13090.970-13090.970    39.000     0.000     0.042
  276   2.90 1623. grkyqtz             an                  -13114.929-13114.940    39.000     0.000     0.042
  276   2.90 1623. grkyqtz             gr  +qtz +ky        -13114.929-13114.929    39.000     0.000     0.042
  277   2.80 1623. an                  an                  -13144.683-13144.683    39.000     0.000     0.042
  278   2.80 1623. an                  an                  -13144.683-13144.683    39.000     0.000     0.042
  279   3.00 1623. grkyqtz             gr  +qtz +ky        -13090.970-13090.970    39.000     0.000     0.042
  280   2.90 1623. an                  an                  -13114.940-13114.940    39.000     0.000     0.042
  282   2.70 1573. an                  an                  -13072.944-13072.944    39.000     0.000     0.042
  283   2.70 1573. an                  an                  -13072.944-13072.944    39.000     0.000     0.042
  284   2.80 1523. grkyqtz             gr  +qtz +ky        -12949.595-12949.595    39.000     0.000     0.042
  285   2.60 1523. an                  an                  -13002.739-13002.739    39.000     0.000     0.042
  286   2.50 1523. an                  an                  -13032.540-13032.540    39.000     0.000     0.042
  287   2.70 1473. grkyqtz             gr  +qtz +ky        -12881.273-12881.273    39.000     0.000     0.042
  288   2.50 1473. an                  an                  -12934.116-12934.116    39.000     0.000     0.042
  289   2.60 1423. grkyqtz             gr  +qtz +ky        -12814.614-12814.614    39.000     0.000     0.042
  290   2.40 1423. an                  an                  -12867.128-12867.128    39.000     0.000     0.042
  291   2.60 1423. grkyqtz             gr  +qtz +ky        -12814.614-12814.614    39.000     0.000     0.042
  292   2.40 1423. an                  an                  -12867.128-12867.128    39.000     0.000     0.042
  293   2.60 1373. grkyqtz             gr  +qtz +ky        -12725.824-12725.824    39.000     0.000     0.042
  294   2.40 1373. grkyqtz             gr  +qtz +ky        -12773.522-12773.522    39.000     0.000     0.042
  295   2.40 1373. grkyqtz             gr  +qtz +ky        -12773.522-12773.522    39.000     0.000     0.042
  296   2.20 1373. an                  an                  -12831.669-12831.669    39.000     0.000     0.042
  297   2.20 1373. an                  an                  -12831.669-12831.669    39.000     0.000     0.042
  298   2.38 1473. jd                  jd                   -3110.085 -3110.085    10.000     0.000     0.042
  299   2.33 1473. nephab              ab  +neph            -6227.195 -6227.195    20.000     0.000     0.042
  306  22.00 1273. nacf                nacf                 -1297.457 -1297.457     7.000     0.000     0.042
  307  21.00 1473. nacf                nacf                 -1399.905 -1399.905     7.000     0.000     0.042
  308  22.00 1473. nacf                nacf                 -1365.525 -1365.525     7.000     0.000     0.042
  309  23.00 1473. nacf                nacf                 -1331.269 -1331.269     7.000     0.000     0.042
  310  18.00 1873. nacf                nacf                 -1655.941 -1655.941     7.000     0.000     0.042
  311  27.00 1873. nacf                nacf                 -1344.130 -1344.130     7.000     0.000     0.042
  312  13.00 1273. spjdanao            sp  +jd  +anao      -15897.746-15897.746    64.000     0.000     0.042
  315  13.00 1473. spjdanao            sp  +jd  +anao      -16485.434-16485.434    64.000     0.000     0.042
  316  13.50 1473. spjdanao            sp  +jd  +anao      -16308.261-16308.261    64.000     0.000     0.042
  320  12.00 1873. spjdanao            sp  +jd  +anao      -18147.512-18147.512    64.000     0.000     0.042
  321  13.00 1873. spjdanao            sp  +jd  +anao      -17788.499-17788.499    64.000     0.000     0.042
  338 101.10 1930. co                  co                     424.979   424.979     5.000     0.000     0.042
  340  96.90 3000. co                  co                      64.973    64.973     5.000     0.000     0.042
  344 107.20 1820. alpv                alpv                   571.904   571.904     5.000     0.000     0.042
  345 107.60 1670. alpv                alpv                   611.777   611.777     5.000     0.000     0.042
  358  22.60 1014. hem                 hem                   -210.261  -210.261     5.000     0.000     0.042
  359  24.60 1115. hem                 hem                   -178.966  -178.966     5.000     0.000     0.042
  360  27.10 1115. hem                 hem                   -109.572  -109.572     5.000     0.000     0.042
  360  27.10 1115. hem                 hepv                  -109.572  -109.662     5.000     0.018     0.043
  362  26.40 1238. hepv                hem                   -160.182  -160.255     5.000     0.015     0.043
  362  26.40 1238. hepv                hepv                  -160.182  -160.182     5.000     0.000     0.043
  365  26.80 1160. hepv                hepv                  -129.126  -129.126     5.000     0.000     0.043
  370  41.10  300. hepv                hem                    403.996   403.982     5.000     0.003     0.043
  375  50.20  300. hppv                hppv                   618.539   618.539     5.000     0.000     0.043
  396  68.00 1703. hppv                hppv                   743.148   743.148     5.000     0.000     0.043
  411   0.00 1185. fea                 feg                    -45.384   -45.398     1.000     0.014     0.043
  414   0.00 1667. feg                 fea                    -84.892   -84.929     1.000     0.037     0.044
  416   5.20 1991. fea                 feg                    -75.309   -75.331     1.000     0.022     0.045
  419  29.40 1309. feg                 fee                    143.557   143.483     1.000     0.074     0.050
  421  44.10 1651. feg                 fee                    209.511   209.091     1.000     0.420     0.227
  430  67.30 2325. fee                 feg                    293.392   293.228     1.000     0.163     0.253
  431  62.20 2179. fee                 feg                    275.655   275.632     1.000     0.023     0.254
  432  22.10 1168. fee                 feg                    107.050   106.743     1.000     0.308     0.349
  434 175.00 2000. mppvappv            mppv+appv             7382.366  7382.366    20.000     0.000     0.349
  436  13.50 1823. jdcen               cen +jd              -5305.584 -5305.584    20.000     0.000     0.349
  437  13.50 2373. jdcen               cen +jd              -5932.020 -5932.020    20.000     0.000     0.349
  437  13.50 2373. jdcen               py  +namj            -5932.020 -5932.028    20.000     0.000     0.349
  438  13.50 1823. pynamj              cen +jd             -10611.165-10611.169    40.000     0.000     0.349
  440    19.900  1873.000pycapvgrmgmj       -0.038   140.000    -0.000     0.349
  441    12.500  1923.000mgc2pymgmj         -0.057    20.000    -0.003     0.349
  442     3.000  1173.000endiodicen          1.187    10.000     0.119     0.363
  443     3.000  1173.000endiodicen         -2.214    10.000    -0.221     0.412
  444     3.000  1273.000endiodicen          1.057    10.000     0.106     0.423
  445     3.000  1373.000endiodicen         -1.983    10.000    -0.198     0.462
  446     3.000  1473.000endiodicen          1.151    10.000     0.115     0.475
  447     3.000  1773.000endiodicen         -0.177    10.000    -0.018     0.476
  448     3.000  1773.000endiodicen          0.439    10.000     0.044     0.478
  449     3.000  1173.000endiodicen          1.008    10.000     0.101     0.488
  450     3.000  1173.000endiodicen          0.017    10.000     0.002     0.488
  451     3.000  1273.000endiodicen          0.415    10.000     0.041     0.490
  452     3.000  1373.000endiodicen          0.105    10.000     0.010     0.490
  453     3.000  1473.000endiodicen         -1.330    10.000    -0.133     0.507
  454     3.000  1773.000endiodicen         -0.010    10.000    -0.001     0.507
  455     3.000  1773.000endiodicen          0.109    10.000     0.011     0.508
  456     1.500  1263.000heendifs           -0.057    90.000    -0.001     0.508
  457    11.000  1673.000fowufape           -1.029    66.000    -0.016     0.508
  458    11.000  1673.000fowufape           15.127    66.000     0.229     0.560
  459    11.000  1673.000fowufape           -4.392    66.000    -0.067     0.565
  460    11.000  1673.000fowufape            0.437    66.000     0.007     0.565
  461    11.000  1673.000fowufape           -1.888    66.000    -0.029     0.566
  462    11.000  1673.000fowufape            3.517    66.000     0.053     0.568
  463    11.000  1673.000fowufape           -5.587    66.000    -0.085     0.576
  464    11.000  1673.000fowufape           -2.255    66.000    -0.034     0.577
  465    11.000  1673.000fowufape           -4.776    66.000    -0.072     0.582
  466    11.000  1673.000fowufape           -0.532    66.000    -0.008     0.582
  467    11.000  1673.000fowufape           -6.357    66.000    -0.096     0.591
  468    11.000  1673.000fowufape           -3.811    66.000    -0.058     0.595
  469    11.000  1673.000fowufape           -6.948    66.000    -0.105     0.606
  470     0.910  1273.000foalfapy           -1.433   183.000    -0.008     0.606
  471     0.910  1273.000foalfapy            2.286   183.000     0.012     0.606
  472     0.910  1273.000foalfapy            0.601   183.000     0.003     0.606
  473     0.910  1273.000foalfapy           -1.708   183.000    -0.009     0.606
  474     0.910  1273.000foalfapy            2.552   183.000     0.014     0.606
  475     0.910  1273.000foalfapy            4.458   183.000     0.024     0.607
  476     0.910  1273.000foalfapy            3.608   183.000     0.020     0.607
  477     0.910  1273.000foalfapy           -9.434   183.000    -0.052     0.610
  478     0.910  1273.000foalfapy            1.991   183.000     0.011     0.610
  479     0.910  1273.000foalfapy           -2.626   183.000    -0.014     0.610
  480    23.500  1773.000mgriwuferipe        3.193    66.000     0.048     0.613
  481    23.500  1773.000mgriwuferipe        3.059    66.000     0.046     0.615
  482    23.500  1773.000mgriwuferipe        3.264    66.000     0.049     0.617
  483    23.500  1773.000mgriwuferipe        3.008    66.000     0.046     0.619
  484    23.500  1773.000mgriwuferipe       -0.459    66.000    -0.007     0.619
  485    23.500  1773.000mgriwuferipe        0.299    66.000     0.005     0.619
  486    22.000  1773.000mgriwuferipe        1.355    66.000     0.021     0.620
  487    22.000  1773.000mgriwuferipe       -0.944    66.000    -0.014     0.620
  488    22.000  1773.000mgriwuferipe       -0.721    66.000    -0.011     0.620
  489    22.000  1773.000mgriwuferipe        3.086    66.000     0.047     0.622
  490    17.500  1673.000mgriwuferipe       -2.282    66.000    -0.035     0.623
  491    17.500  1673.000mgriwuferipe        0.868    66.000     0.013     0.624
  492    17.500  1673.000mgriwuferipe       -0.677    66.000    -0.010     0.624
  493    17.500  1673.000mgriwuferipe        0.604    66.000     0.009     0.624
  494    17.500  1673.000mgriwuferipe        1.303    66.000     0.020     0.624
  495    17.500  1673.000mgriwuferipe        1.622    66.000     0.025     0.625
  496    17.500  1673.000mgriwuferipe        1.445    66.000     0.022     0.625
  497    17.500  1673.000mgriwuferipe       -2.669    66.000    -0.040     0.627
  498    17.500  1673.000mgriwuferipe        0.326    66.000     0.005     0.627
  499    17.500  1673.000mgriwuferipe        0.989    66.000     0.015     0.627
  500    21.500  1773.000mgriwuferipe       -0.179    66.000    -0.003     0.627
  501    21.500  1773.000mgriwuferipe        0.824    66.000     0.012     0.627
  502    21.500  1773.000mgriwuferipe       -2.751    66.000    -0.042     0.629
  503    21.500  1773.000mgriwuferipe       -0.374    66.000    -0.006     0.629
  504    21.500  1773.000mgriwuferipe        0.680    66.000     0.010     0.629
  505    21.500  1773.000mgriwuferipe        1.987    66.000     0.030     0.630
  506    21.500  1773.000mgriwuferipe       -1.174    66.000    -0.018     0.630
  507    17.500  1873.000mgriwuferipe       -3.049    66.000    -0.046     0.633
  508    17.500  1873.000mgriwuferipe       -4.929    66.000    -0.075     0.638
  509    17.500  1873.000mgriwuferipe       -3.749    66.000    -0.057     0.641
  510    17.500  1873.000mgriwuferipe       -3.452    66.000    -0.052     0.644
  511    17.500  1873.000mgriwuferipe       -3.139    66.000    -0.048     0.646
  512    17.500  1473.000mgriwuferipe       -0.732    66.000    -0.011     0.646
  513    17.500  1473.000mgriwuferipe       -1.620    66.000    -0.025     0.647
  514    17.500  1473.000mgriwuferipe        5.791    66.000     0.088     0.655
  515    17.500  1473.000mgriwuferipe        4.303    66.000     0.065     0.659
  516    17.500  1473.000mgriwuferipe        5.487    66.000     0.083     0.666
  517    11.000  1273.000mgriwuferipe        1.526    66.000     0.023     0.666
  518    11.000  1273.000mgriwuferipe        0.936    66.000     0.014     0.667
  519    11.000  1273.000mgriwuferipe       -1.039    66.000    -0.016     0.667
  520    21.500  1873.000mgriwuferipe        2.142    66.000     0.032     0.668
  521    21.500  1873.000mgriwuferipe       -0.221    66.000    -0.003     0.668
  522    21.500  1873.000mgriwuferipe        4.151    66.000     0.063     0.672
  523    21.500  1873.000mgriwuferipe       -0.812    66.000    -0.012     0.672
  524    21.500  1873.000mgriwuferipe       -0.074    66.000    -0.001     0.672
  525    21.000  1873.000mgriwuferipe        1.448    66.000     0.022     0.673
  526    21.000  1873.000mgriwuferipe       -1.232    66.000    -0.019     0.673
  527    21.000  1873.000mgriwuferipe        1.793    66.000     0.027     0.674
  528    21.000  1873.000mgriwuferipe        0.455    66.000     0.007     0.674
  529    21.000  1873.000mgriwuferipe        1.361    66.000     0.021     0.674
  530    21.000  1873.000mgriwuferipe        0.413    66.000     0.006     0.674
  531    14.500  1673.000pefewawumgwa        0.504    66.000     0.008     0.674
  532    14.500  1673.000pefewawumgwa       -0.054    66.000    -0.001     0.674
  533    14.500  1673.000pefewawumgwa       -0.066    66.000    -0.001     0.674
  534    14.500  1673.000pefewawumgwa        0.363    66.000     0.005     0.674
  535    14.500  1673.000pefewawumgwa       -0.137    66.000    -0.002     0.674
  536    14.500  1673.000pefewawumgwa        0.680    66.000     0.010     0.674
  537    14.000  1673.000pefewawumgwa       -2.101    66.000    -0.032     0.675
  538    14.000  1673.000pefewawumgwa       -1.730    66.000    -0.026     0.676
  539    14.000  1673.000pefewawumgwa       -1.431    66.000    -0.022     0.677
  540    14.000  1673.000pefewawumgwa       -1.861    66.000    -0.028     0.677
  541    14.000  1673.000pefewawumgwa        0.090    66.000     0.001     0.677
  542    13.200  1673.000pefewawumgwa       -0.346    66.000    -0.005     0.677
  543    13.200  1673.000pefewawumgwa       -0.063    66.000    -0.001     0.677
  544    13.000  1673.000pefewawumgwa        0.292    66.000     0.004     0.677
  545    13.000  1673.000pefewawumgwa       -0.095    66.000    -0.001     0.677
  546    12.870  1673.000fofewafamgwa        2.188    21.000     0.104     0.688
  547    12.870  1673.000mgwaferifewamgr     0.985    21.000     0.047     0.690
  548    25.000  2000.000mgpvwufepvpe       -0.333    84.000    -0.004     0.690
  549    25.000  2541.000mgpvwufepvpe       -0.030    84.000    -0.000     0.690
  550    25.500  1373.000mgilfepvfeilmgp     0.045    30.000     0.002     0.690
  551    24.000  2073.000mgilfepvfeilmgp    -0.007    30.000    -0.000     0.690
  552     0.000  1573.000fohcfasp            0.372   126.000     0.003     0.690
  553     0.000  1573.000fohcfasp           -2.313   126.000    -0.018     0.691
  554     0.000  1573.000fohcfasp            1.589   126.000     0.013     0.691
  555     0.000  1573.000fohcfasp            0.569   126.000     0.005     0.691
  556     0.000  1573.000fohcfasp            0.569   126.000     0.005     0.691
  557     0.000  1573.000fohcfasp           -0.882   126.000    -0.007     0.691
  558     0.000  1573.000fohcfasp           -1.416   126.000    -0.011     0.691
  559     0.000  1573.000fohcfasp            1.490   126.000     0.012     0.691
  560     0.000  1573.000fohcfasp            1.286   126.000     0.010     0.691
  561     0.000  1573.000fohcfasp           -0.624   126.000    -0.005     0.691
  562     0.000  1573.000fohcfasp           -0.822   126.000    -0.007     0.691
  563     0.000  1573.000fohcfasp           -2.927   126.000    -0.023     0.692
  564     0.000  1573.000fohcfasp            2.209   126.000     0.018     0.692
  565     1.650  1123.000mgtsencopy         -1.522   240.000    -0.006     0.692
  566     2.165  1173.000mgtsenpy           -1.069    60.000    -0.018     0.693
  567     2.410  1173.000mgtsenpy           -2.824    60.000    -0.047     0.695
  568     2.590  1173.000mgtsenpy           -3.012    60.000    -0.050     0.697
  569     2.795  1173.000mgtsenpy           -0.423    60.000    -0.007     0.697
  570     3.000  1173.000mgtsenpy           -0.127    60.000    -0.002     0.697
  571     2.070  1373.000mgtsenpy           -0.427    60.000    -0.007     0.698
  572     2.153  1373.000mgtsenpy           -0.800    60.000    -0.013     0.698
  573     2.305  1373.000mgtsenpy            0.745    60.000     0.012     0.698
  574     2.400  1373.000mgtsenpy            0.443    60.000     0.007     0.698
  575     2.500  1373.000mgtsenpy           -0.389    60.000    -0.006     0.698
  576     2.625  1373.000mgtsenpy           -0.111    60.000    -0.002     0.698
  577     2.810  1373.000mgtsenpy            1.554    60.000     0.026     0.699
  578     3.000  1373.000mgtsenpy            0.025    60.000     0.000     0.699
  579     3.140  1373.000mgtsenpy            0.502    60.000     0.008     0.699
  580     3.490  1373.000mgtsenpy            0.878    60.000     0.015     0.699
  581     3.990  1373.000mgtsenpy            0.057    60.000     0.001     0.699
  582     2.277  1573.000mgtsenpy            0.913    60.000     0.015     0.699
  583     2.714  1573.000mgtsenpy            1.439    60.000     0.024     0.700
  584     3.305  1573.000mgtsenpy            0.010    60.000     0.000     0.700
  585     3.673  1573.000mgtsenpy           -0.564    60.000    -0.009     0.700
  586     4.015  1573.000mgtsenpy           -0.422    60.000    -0.007     0.700
  587     2.831  1773.000mgtsenpy            2.065    60.000     0.034     0.701
  588     3.536  1773.000mgtsenpy            1.650    60.000     0.027     0.702
  589     1.380  1773.000enspmgtsfo         -2.363   204.000    -0.012     0.702
  590     1.770  1773.000enspmgtsfo         -2.661   204.000    -0.013     0.702
  591     2.170  1773.000enspmgtsfo         -0.164   204.000    -0.001     0.702
  592     2.560  1773.000enspmgtsfo         -1.037   204.000    -0.005     0.702
  593     0.990  1573.000enspmgtsfo          2.691   204.000     0.013     0.702
  594     1.370  1573.000enspmgtsfo          2.581   204.000     0.013     0.702
  595     2.700  1773.000mgtsdicencatsen    -0.674    20.000    -0.034     0.704
  596     2.700  1773.000mgtsdicencatsen    -0.511    10.000    -0.051     0.706
  597     2.700  1773.000mgtsdicencatsen    -0.207    10.000    -0.021     0.707
  598     2.500  1173.000mgtsdicencatsen     0.629    20.000     0.031     0.708
  599     2.500  1173.000mgtsdicencatsen     0.806    10.000     0.081     0.714
  600     2.500  1173.000mgtsdicencatsen     0.866    10.000     0.087     0.722
  601     2.500  1173.000grpycendicats       0.003    30.000     0.000     0.722
  602     3.250  1573.000grpycodicatscen    -0.035    40.000    -0.001     0.722
  603   121.500  2140.000mppvwulsfppvpe     -0.093    84.000    -0.001     0.722
  604   121.500  4000.000mppvwulsfppvpe      0.010    84.000     0.000     0.722
  605     0.850   873.000jddiqtzab           6.965    78.000     0.089     0.730
  606     0.850   873.000jddiqtzab          -6.120    78.000    -0.078     0.736
  607     1.000   873.000jddiqtzab           3.970    78.000     0.051     0.738
  608     1.000   873.000jddiqtzab          -6.639    78.000    -0.085     0.746
  609     1.000   873.000jddiqtzab          -5.995    78.000    -0.077     0.752
  610     1.000   873.000jddiqtzab          -5.995    78.000    -0.077     0.757
  611     1.100   873.000jddiqtzab           1.692    78.000     0.022     0.758
  612     1.100   873.000jddiqtzab          -3.596    78.000    -0.046     0.760
  613     1.100   873.000jddiqtzab           6.455    78.000     0.083     0.767
  614     1.150   873.000jddiqtzab          -0.984    78.000    -0.013     0.767
  615     1.150   873.000jddiqtzab          -2.215    78.000    -0.028     0.768
  616     1.200   873.000jddiqtzab           6.196    78.000     0.079     0.774
  617     1.200   873.000jddiqtzab          -1.580    78.000    -0.020     0.775
  618     1.300   873.000jddiqtzab           8.343    78.000     0.107     0.786
  619     1.300   873.000jddiqtzab          -3.649    78.000    -0.047     0.788
  620     1.300   873.000jddiqtzab           1.288    78.000     0.017     0.788
  621     1.300   873.000jddiqtzab          -3.649    78.000    -0.047     0.791
  622     1.300   873.000jddiqtzab          -4.290    78.000    -0.055     0.794
  623     1.500   873.000jddiqtzab           1.198    78.000     0.015     0.794
  624     1.600   873.000jddiqtzab           2.264    78.000     0.029     0.795
  625     0.860   873.000jddiqtzab           7.302    78.000     0.094     0.804
  626    13.500  1923.000mgc2cenjd          -0.022    10.000    -0.002     0.804
  627    14.000  1923.000mgc2mgmjnamjpy      0.014    20.000     0.001     0.804
  628    23.000  1873.000mnalnacfnnalmgc     0.011    63.000     0.000     0.804
  629    23.000  1873.000mnalnnalnacfmgc     0.028    63.000     0.000     0.804
  630    25.000  1873.000mnalmgcfnacf       -0.042    63.000    -0.001     0.804
  631    23.000  1673.000fnalmgcfmnalfec     0.678   105.000     0.006     0.804
  632    23.000  2073.000fnalmgcfmnalfec    -0.651   105.000    -0.006     0.804
  633    60.000  2000.000fepvmgcfmgpvfec    -0.411    36.000    -0.011     0.804
  634    60.000  2400.000fepvmgcfmgpvfec     0.338    36.000     0.009     0.804
  635    27.000  2300.000mgilcomgpvalpv      0.005    15.000     0.000     0.804
  636    27.000  2300.000mgilcomgpvalpv      0.002    15.000     0.000     0.804
  637    52.100   300.000pewulspewu         -0.007    24.000    -0.000     0.804
  638    68.800   300.000pewulspewu          0.447    24.000     0.019     0.804
  639    59.600   300.000pewulspewu         -0.225    24.000    -0.009     0.804
  640    78.000   300.000pewulspewu         -0.225    24.000    -0.009     0.804
  641    95.000  2000.000pewulspewu         -0.009    24.000    -0.000     0.804
  642   572.000   300.000mgpvflpvmgpvfep    -0.008    15.000    -0.001     0.804
  643   533.000   300.000mgpvflpvmgpvfep    -0.000    15.000    -0.000     0.804
  644   568.000   300.000mgpvflpvmgpvfep    -0.002    15.000    -0.000     0.804
  645   540.000  2000.000mgpvflpvmgpvfep     0.005    15.000     0.000     0.804
  646    26.000  1973.000fepvmgpvhepvfeg    -0.008    45.000    -0.000     0.804
  647    48.500   300.000mgpvhepvmgpvhlp    -0.020    15.000    -0.001     0.804
  648    76.000  2000.000mgpvhepvmgpvhlp    -0.010    15.000    -0.001     0.804
  649   200.000   300.000hppvlppv           -0.000    15.000    -0.000     0.804
  650   227.000  2000.000hppvlppv           -0.000    15.000    -0.000     0.804
  651     9.610  1073.000hmagmag             0.025    21.000     0.001     0.804
  652    10.509  1673.000hmagmag             0.029    21.000     0.001     0.804
  653     0.000  1473.000magfegwu            0.784    24.000     0.033     0.805
  654     0.000  1473.000magfegwupe         -0.688    24.000    -0.029     0.806
  655    22.000  2273.000fepvmgpvwupest     -0.217    60.000    -0.004     0.806
  656    22.000  2273.000fepvmgpvwupest     -1.694    60.000    -0.028     0.807
 Largest Deviations: Stability
  421    44.100  1651.000feg                 0.420     1.000
  432    22.100  1168.000fee                 0.308     1.000
  430    67.300  2325.000fee                 0.163     1.000
  149    22.000  2073.000capvmgil            0.097    10.000
   21    22.460  2173.000mgwa                0.083     7.000
   32    24.610  1544.000mgri                0.077     7.000
  419    29.400  1309.000feg                 0.074     1.000
   66    23.430  1673.000mgpv                0.062     5.000
   63    20.000  1273.000mgil                0.047     5.000
  177   149.300  4200.000mgpv                0.043     5.000
 Largest Deviations: Reactions
  458    11.000  1673.000fowufape            0.229    66.000
  443     3.000  1173.000endiodicen         -0.221    10.000
  445     3.000  1373.000endiodicen         -0.198    10.000
  453     3.000  1473.000endiodicen         -0.133    10.000
  442     3.000  1173.000endiodicen          0.119    10.000
  446     3.000  1473.000endiodicen          0.115    10.000
  618     1.300   873.000jddiqtzab           0.107    78.000
  444     3.000  1273.000endiodicen          0.106    10.000
  469    11.000  1673.000fowufape           -0.105    66.000
  546    12.870  1673.000fofewafamgwa        0.104    21.000
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404263       0.80703882963344276                2         132          64          42          25           1
 Begin derivative calculation
 End derivative calculation
    -0.43306E-01     0.57254E-02    -0.67540E-01     0.11335E+00    -0.87385E-02    -0.22303E-02     0.12427E+00     0.87726E-02     0.19665E+00     0.91533E-03    -0.31996E-01    -0.13958E-01    -0.20525E-01    -0.83564E-01    -0.11176E-02     0.27917E-01    -0.44998E-01    -0.11253E-01     0.92521E-02     0.10309E-02     0.00000E+00     0.46303E-01     0.43922E+00     0.85728E-01     0.18751E-01     0.16318E+00    -0.72309E-01    -0.35309E-01    -0.33822E-01    -0.30836E-01    -0.17067E-01    -0.99892E-02     0.56619E-03    -0.57078E-02    -0.84491E-02    -0.60693E+00     0.71305E-01     0.42199E-01     0.71729E-01    -0.26705E+00     0.00000E+00     0.50463E-01    -0.17661E+00    -0.94169E-01     0.20195E-26     0.79214E-02    -0.79214E-02    -0.35550E-01     0.40528E-01     0.91286E-01     0.14199E-25    -0.89321E-01     0.33805E-01    -0.10231E+00    -0.23357E-01    -0.24289E+00     0.11901E-01    -0.48984E-02     0.54517E-02     0.28871E-01    -0.30292E-26     0.36275E+00    -0.48720E-01    -0.24630E+00     0.12149E-02    -0.17272E-01     0.11980E+00     0.72034E-01     0.21739E-02     0.64241E-03     0.51803E-01    -0.46353E-02    -0.38985E-01     0.15339E+00     0.87783E-01    -0.63814E-01     0.00000E+00     0.10724E-01     0.66387E-01     0.11858E-01    -0.21495E-01     0.12889E-01    -0.36706E-02    -0.27090E-01    -0.14207E-01     0.38293E-01     0.11594E-01    -0.32901E-01    -0.23899E-01    -0.12055E-01    -0.13156E+00    -0.21599E-01     0.50487E-27     0.11508E-02    -0.10880E-02     0.32332E-01     0.41415E-26     0.68339E-02    -0.12345E-01
    -0.89632E-02    -0.83989E-01    -0.18646E-01     0.26843E-01     0.49303E-02     0.18703E-01    -0.34634E-01     0.40826E-01    -0.20661E+00     0.12330E-03     0.84577E-01     0.29555E-01     0.00000E+00     0.26369E-01    -0.36711E-01    -0.97636E-01    -0.14417E-01     0.16885E-01    -0.12985E+00    -0.63435E-02     0.18949E-01     0.25594E-01     0.28355E-01     0.81287E-01    -0.89015E-01     0.38968E-01     0.94708E-02    -0.85688E-01     0.67441E-01     0.15963E-04    -0.85492E-02     0.15595E-02     0.13997E-01
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404263       0.80703882963344276                3         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.00   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.00   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    32.597345173041610        32.597199329581009                4         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404263       0.80703882963344276                5         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.00   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.00   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    32.597345173041610        32.597199329581009                6         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80874437938015942       0.80859853591955955                7         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.1131120844858318        5.1129662410252319                8         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.86628344504819266       0.86613760158759279                9         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7709379657070250        1.7707921222464251               10         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8361186299402061        1.8359727864796063               11         132          64          42          25           1
 Error in F0           1   4.3680683047758802       -4009.0009716952241       -4013.3690400000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404263       0.80703882963344276               12         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.71   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.71   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    14.204749518971569        14.204603675510970               13         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404263       0.80703882963344276               14         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.71   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.71   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    14.204749518971569        14.204603675510970               15         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82196399186226321       0.82181814840166334               16         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.71   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.71   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.9651137340649254        3.9649678906043255               17         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0884414693968587        1.0882956259362588               18         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1040980141658454        2.1039521707052455               19         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7197424892873454        1.7195966458267455               20         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8008363151330171        1.8006904716724172               21         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8312922161087697        1.8311463726481698               22         132          64          42          25           1
 Error in F0           2   4.4541414221391857       -3715.6434583098671       -3720.1475999999998     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404263       0.80703882963344276               23         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.65   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.65   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.7076039943862331        2.7074581509256332               24         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404263       0.80703882963344276               25         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.65   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.65   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.7076039943862331        2.7074581509256332               26         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.67   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.67   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1658514984273061        1.1657056549667062               27         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.66   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.66   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6160207137992995        1.6158748703386996               28         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.66   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.66   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8347608346570130        1.8346149911964131               29         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.66   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.66   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8053207739706942        1.8051749305100944               30         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.66   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.66   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8113164978999334        1.8111706544393336               31         132          64          42          25           1
 Error in F0           3   21.941452528405200       -8658.0519061543619       -8680.0433599999997     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404263       0.80703882963344276               32         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.33   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.33   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4523338685501226        1.4521880250895227               33         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.28   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.28   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.1551899448967369        5.1550441014361370               34         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404263       0.80703882963344276               35         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.28   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.28   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.1551899448967369        5.1550441014361370               36         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.34   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.34   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0386366003039114        1.0384907568433115               37         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.31   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.31   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4536375227665994        2.4534916793059995               38         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.32   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.32   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6475630855515868        1.6474172420909869               39         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.32   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.32   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7858622957498034        1.7857164522892035               40         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.32   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.32   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8074069241574879        1.8072610806968881               41         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.32   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.32   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8045469793950750        1.8044011359344752               42         132          64          42          25           1
 Error in F0           4   34.880848941643187       -7321.3541831519524       -7356.1850299999996     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404263       0.80703882963344276               43         132          64          42          25           1
    5    1 fo   -2185.50003 -2192.48343     6.98341     2.00000     3.49170
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    12.192068825809443                9
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    17.844423333616518        5.6523545078070745               44         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404263       0.80703882963344276               45         132          64          42          25           1
    5    1 fo   -2185.50003 -2192.48343     6.98341     2.00000     3.49170
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    12.192068825809443                9
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    17.844423333616518        5.6523545078070745               46         132          64          42          25           1
    5    1 fo   -2192.08916 -2192.48343     0.39427     2.00000     0.19714
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    3.8939466391187436E-002           9
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.85768113417668490       0.81874166778549751               47         132          64          42          25           1
    5    1 fo   -2188.79459 -2192.48343     3.68884     2.00000     1.84442
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    3.4019601483596511                9
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.3055145720952988        1.9035544237356479               48         132          64          42          25           1
    5    1 fo   -2191.38585 -2192.48343     1.09758     2.00000     0.54879
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.30124791027705483                9
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1802250185126308       0.87897710823557595               49         132          64          42          25           1
    5    1 fo   -2190.22653 -2192.48343     2.25690     2.00000     1.12845
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.2734781585193389                9
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4420452591830921        1.1685671006637530               50         132          64          42          25           1
    5    1 fo   -2190.80982 -2192.48343     1.67361     2.00000     0.83681
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.70032096333685079                9
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6892048355182578       0.98888387218140716               51         132          64          42          25           1
    5    1 fo   -2190.69722 -2192.48343     1.78621     2.00000     0.89310
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.79771266952446507                9
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8158849340883259        1.0181722645638607               52         132          64          42          25           1
    5    1 fo   -2190.74722 -2192.48343     1.73621     2.00000     0.86810
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.75368234959434144                9
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.05   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7585300376234161        1.0048476880290746               53         132          64          42          25           1
 Error in F0           5   1.8028024489014733       -2053.6183876600116       -2055.3711899999998     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276               54         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1557.84576 -1564.84556     6.99980     1.30000     5.38446
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    28.992607767913352                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.36   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.36   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    40.534801142014111        11.542193374100760               55         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276               56         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1557.84576 -1564.84556     6.99980     1.30000     5.38446
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    28.992607767913352                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.36   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.36   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    40.534801142014111        11.542193374100760               57         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.66956 -1564.84556     0.17600     1.30000     0.13539
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.8475685678917646E-002           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82770074188169684       0.80922505620277918               58         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1561.25766 -1564.84556     3.58790     1.30000     2.75993
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    7.6173392846836068                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    10.399394164461533        2.7820548797779265               59         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.32041 -1564.84556     0.52515     1.30000     0.40396
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.16332974268810324                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.99405333261942652       0.83072358993132334               60         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1562.76134 -1564.84556     2.08422     1.30000     1.60325
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    2.5705460481678033                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.9093600198618703        1.3388139716940670               61         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1563.88556 -1564.84556     0.96000     1.30000     0.73846
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.54547314800709168                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4466039681084066       0.90113082010131496               62         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1563.58981 -1564.84556     1.25575     1.30000     0.96596
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.93323082444344263                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.9128507402337194       0.97961991579027663               63         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1563.65684 -1564.84556     1.18873     1.30000     0.91440
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.83628150847896343                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7959394656131642       0.95965795713420066               64         132          64          42          25           1
 Error in F0           6   1.1889215873912369       -1370.5067384126089       -1371.6956600000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276               65         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.02   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.02   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    23.114364586722782        23.114218743262189               66         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276               67         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.02   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.02   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    23.114364586722782        23.114218743262189               68         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82337341618854443       0.82322757272795211               69         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.02   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.02   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.1373957931276761        5.1372499496670843               70         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0279716490400626        1.0278258055794702               71         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2824235283049696        2.2822776848443773               72         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6332016699311493        1.6330558264705570               73         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7852674754686280        1.7851216320080356               74         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8474989429122732        1.8473530994516809               75         132          64          42          25           1
 Error in F0           7   2.0087094104855812       -2026.1139704682466       -2028.1726799999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276               76         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7043994327679390        1.7042535893073467               77         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.34   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.34   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.8721011025416576        6.8719552590810657               78         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276               79         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.34   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.34   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.8721011025416576        6.8719552590810657               80         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.97208939141495587       0.97194354795436355               81         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.8646732938956041        2.8645274504350118               82         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5464794263265820        1.5463335828659897               83         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8578825711516609        1.8577367276910686               84         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8034643349312074        1.8033184914706151               85         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.35   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8170162034077024        1.8168703599471101               86         132          64          42          25           1
 Error in F0           8   7.3763450847230505       -1350.9369944719513       -1358.3633400000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276               87         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.01   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.01   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    18.005895159136095        18.005749315675502               88         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276               89         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.01   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.01   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    18.005895159136095        18.005749315675502               90         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.84465731463974358       0.84451147117915126               91         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.01   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.01   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.9652450821144170        4.9650992386538251               92         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1538090992921806        1.1536632558315882               93         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.01   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.01   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.5847262371456190        2.5845803936850267               94         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6535124864228647        1.6533666429622724               95         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8214601195361140        1.8213142760755217               96         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7664518190668910        1.7663059756062987               97         132          64          42          25           1
 Error in F0           9   1.9508487724514705       -2015.3231313453446       -2017.2239800000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276               98         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.35   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.35   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    18.428682404154106        18.428536560693512               99         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276              100         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.35   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.35   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    18.428682404154106        18.428536560693512              101         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81994734097149879       0.81980149751090647              102         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.5773862814131712        3.5772404379525788              103         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0359049869309960        1.0357591434704037              104         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8073516758502153        1.8072058323896230              105         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7516285619778449        1.7514827185172526              106         132          64          42          25           1
 Error in F0          10   2.6389227917465572       -1356.6407473673339       -1359.2296699999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276              107         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.90   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.90   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    24.877645567346843        24.877499723886249              108         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276              109         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.90   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.90   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    24.877645567346843        24.877499723886249              110         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.83082058343038045       0.83067473996978813              111         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.3868876105865384        6.3867417671259465              112         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0701493301319185        1.0700034866713262              113         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.1740224617207526        3.1738766182601603              114         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5566261655570406        1.5564803220964483              115         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8504183758144404        1.8502725323538480              116         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8040618948804763        1.8039160514198840              117         132          64          42          25           1
 Error in F0          11   2.3306988519287923       -2911.8329011480710       -2914.1635999999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276              118         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    10.768067776747026        10.767921933286434              119         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276              120         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    10.768067776747026        10.767921933286434              121         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.85157155625790604       0.85142571279731372              122         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.1093029081990076        3.1091570647384152              123         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3680657579995581        1.3679199145389658              124         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0025993846357437        2.0024535411751514              125         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7794344606964891        1.7792886172358968              126         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.22   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8076763566307861        1.8075305131701938              127         132          64          42          25           1
 Error in F0          12   3.7954409713391621       -2224.5322590286605       -2228.3276999999998     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276              128         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -2.99   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -2.99   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1765488148463215        2.1764029713857291              129         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276              130         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -2.99   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -2.99   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1765488148463215        2.1764029713857291              131         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5374101882414244        1.5372643447808321              132         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -2.99   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -2.99   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7828782487049610        1.7827324052443687              133         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -2.99   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -2.99   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8074865154944431        1.8073406720338507              134         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -2.99   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -2.99   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7958160087713226        1.7956701653107303              135         132          64          42          25           1
 Error in F0          13   8.5469584412430688       -2993.9132120723198       -3002.4101700000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276              136         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    9.8309260728302004        9.8307802293696085              137         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276              138         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    9.8309260728302004        9.8307802293696085              139         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.92020693211808191       0.92006108865748959              140         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.5966192022283745        3.5964733587677822              141         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4130128349060984        1.4128669914455061              142         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.9480400857377000        1.9478942422771077              143         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7909032585696554        1.7907574151090631              144         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.01   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8208857069584632        1.8207398634978709              145         132          64          42          25           1
 Error in F0          14   3.3430954324876860       -3012.3910345675122       -3015.7341299999998     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276              146         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3220.92967 -3230.92933     9.99967     2.00000     4.99983
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    24.998480989393791                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.02   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.02   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    44.178994469200553        19.180513479806763              147         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059232052E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403508       0.80703882963344276              148         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3220.92967 -3230.92933     9.99967     2.00000     4.99983
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    24.998480989393791                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.02   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.02   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    44.178994469200553        19.180513479806763              149         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.69910 -3230.92933     0.23023     2.00000     0.11512
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.3397455957267983E-002           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82661775619243616       0.81322030023516823              150         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3225.81439 -3230.92933     5.11495     2.00000     2.55747
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    6.5408223585274872                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.02   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.02   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    10.851023550013061        4.3102011914855725              151         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.22129 -3230.92933     0.70804     2.00000     0.35402
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.12547762540008051                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.99062311653272395       0.86514549113264350              152         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3228.03933 -3230.92933     2.89001     2.00000     1.44500
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    2.0881807282040725                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.8780707142666322        1.7898899860625597              153         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3229.60424 -3230.92933     1.32510     2.00000     0.66255
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.43911636515631963                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4493918597345445        1.0102754945782249              154         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3229.19390 -3230.92933     1.73544     2.00000     0.86772
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.75308296846940737                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.9085899310797951        1.1555069626103878              155         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3229.28451 -3230.92933     1.64482     2.00000     0.82241
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.67650625903790274                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7965934426586907        1.1200871836207880              156         132          64          42          25           1
 Error in F0          15   1.6451556886708685       -3027.9632243113292       -3029.6083800000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              157         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.67   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.67   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.85684655868211734       0.85670071522152491              158         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.65   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.65   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1417376805174915        1.1415918370568992              159         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.61   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.61   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.0657435469227510        3.0655977034621587              160         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              161         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.61   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.61   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.0657435469227510        3.0655977034621587              162         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.65   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.65   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2504104958945603        1.2502646524339680              163         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.62   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.62   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3572416914637544        2.3570958480031621              164         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.63   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.63   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7233020381372970        1.7231561946767047              165         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.63   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.63   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7976702024954614        1.7975243590348691              166         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.63   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.63   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072283184642688        1.8070824750036765              167         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.63   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.63   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8050071620474957        1.8048613185869034              168         132          64          42          25           1
 Error in F0          16   44.972724971482940       -2632.0690577276255       -2676.9917799999998     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              169         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    11.430876601560602        11.430730758100010              170         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              171         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    11.430876601560602        11.430730758100010              172         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.90116008228801014       0.90101423882741771              173         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.9826286121392060        3.9824827686786137              174         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3553227295487600        1.3551768860881677              175         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0122259161568046        2.0120800726962123              176         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7797622812526137        1.7796164377920214              177         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.90   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8121526359284323        1.8120067924678400              178         132          64          42          25           1
 Error in F0          17   3.0776951462805244       -2903.7578348537195       -2906.8355299999998     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              179         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.3404892173610712        4.3403433739004784              180         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              181         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.3404892173610712        4.3403433739004784              182         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0751369727419511        1.0749911292813588              183         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2437323810742642        2.2435865376136719              184         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6985830633573842        1.6984372198967919              185         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7968531197242210        1.7967072762636287              186         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.11   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8158425437092787        1.8156967002486863              187         132          64          42          25           1
 Error in F0          18   5.3926980285963300       -3114.0547119714038       -3119.4474100000002     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              188         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3038.41997 -3048.41982     9.99985     4.00000     2.49996
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    6.2499542862566448                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    14.379806926012538        8.1298526397558941              189         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059239625E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              190         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3038.41997 -3048.41982     9.99985     4.00000     2.49996
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    6.2499542862566448                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    14.379806926012538        8.1298526397558941              191         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3047.68319 -3048.41982     0.73662     4.00000     0.18416
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    3.4059279475980572E-002           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.85805743562685688       0.82399815615087635              192         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3043.05158 -3048.41982     5.36824     4.00000     1.34206
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.8012678022571871                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.3042433652668084        2.5029755630096213              193         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3046.40758 -3048.41982     2.01223     4.00000     0.50306
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.25321365581859173                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2311043914364677       0.97789073561787598              194         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3044.80698 -3048.41982     3.61284     4.00000     0.90321
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.81593317525603737                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2990703910663859        1.4831372158103486              195         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3045.54419 -3048.41982     2.87563     4.00000     0.71891
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.51697338630817047                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7211198672071433        1.2041464808989728              196         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3045.43441 -3048.41982     2.98541     4.00000     0.74635
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.55718765558037353                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7975289060956241        1.2403412505152507              197         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3045.38441 -3048.41982     3.03541     4.00000     0.75885
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.57600278230030566                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.85   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8334221252471594        1.2574193429468536              198         132          64          42          25           1
 Error in F0          19   2.9855626008438314       -2852.1599972192776       -2855.1955600000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              199         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    19.005325838130982        19.005179994670389              200         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              201         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    19.005325838130982        19.005179994670389              202         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.84096385097261184       0.84081800751201941              203         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.9053055649985788        4.9051597215379861              204         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1731367149814238        1.1729908715208315              205         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4832487093588846        2.4831028658982923              206         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6839848738270036        1.6838390303664112              207         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8160121419718336        1.8158662985112413              208         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.90   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7774399119636839        1.7772940685030916              209         132          64          42          25           1
 Error in F0          20   2.7099996827366968       -2902.8157504806086       -2905.4757500000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              210         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.21   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.21   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    14.135730298305235        14.135584454844643              211         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              212         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.21   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.21   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    14.135730298305235        14.135584454844643              213         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82051723627719964       0.82037139281660720              214         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.2471266308345870        3.2469807873739946              215         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1621756900215499        1.1620298465609575              216         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.9110939680624230        1.9109481246018307              217         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7733933348455970        1.7732474913850047              218         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8084723980472943        1.8083265545867020              219         132          64          42          25           1
 Error in F0          21   3.8625594432608779       -2220.3484405567388       -2224.2109999999998     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              220         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2744213743711799        1.2742755309105875              221         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.6548740347618356        6.6547281913012428              222         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              223         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.6548740347618356        6.6547281913012428              224         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.86629719971306984       0.86615135625247741              225         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1357432779514083        2.1355974344908160              226         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6082903162781381        1.6081444728175458              227         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7868522881299178        1.7867064446693255              228         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.45   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8073307807054506        1.8071849372448583              229         132          64          42          25           1
 Error in F0          22   6.7991995573992767       -1453.1109804426007       -1459.9101800000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              230         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.40   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.40   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    10.521865512160284        10.521719668699692              231         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              232         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.40   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.40   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    10.521865512160284        10.521719668699692              233         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.86603075685602737       0.86588491339543494              234         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.2181711926291992        3.2180253491686068              235         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3000401425134502        1.2998942990528579              236         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1868551074827534        2.1867092640221610              237         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7385043534274052        1.7383585099668128              238         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8004078460114261        1.8002620025508338              239         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8639923170824217        1.8638464736218294              240         132          64          42          25           1
 Error in F0          23   1.9037165471725104       -1407.8782333378595       -1409.8319500000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              241         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.04   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.04   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.86316886723081121       0.86302302377021878              242         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.03   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.03   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1838546958586318        1.1837088523980395              243         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.01   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.01   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.3488379186327797        3.3486920751721874              244         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              245         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.01   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.01   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.3488379186327797        3.3486920751721874              246         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.03   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.03   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2013208734159642        1.2011750299553718              247         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.02   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.02   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.5485046650438203        2.5483588215832280              248         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.03   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.03   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6887516425257723        1.6886057990651799              249         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.03   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.03   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8153970622222146        1.8152512187616223              250         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.03   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.03   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8069270473095898        1.8067812038489974              251         132          64          42          25           1
 Error in F0          24   21.191190759894624       -1026.3401492401053       -1047.5313400000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              252         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1664.39316 -1669.39317     5.00002     1.30000     3.84617
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    14.793140827850666                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    21.145681056002751        6.3525402281520833              253         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059240495E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              254         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1664.39316 -1669.39317     5.00002     1.30000     3.84617
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    14.793140827850666                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    21.145681056002751        6.3525402281520833              255         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.14732 -1669.39317     0.24586     1.30000     0.18912
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    3.5912033851696862E-002           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.84630536648412147       0.81039333263242463              256         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1666.77024 -1669.39317     2.62294     1.30000     2.01764
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    4.0710286848974517                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.9937075750674449        1.9226788901699932              257         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1668.70358 -1669.39317     0.68959     1.30000     0.53045
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.28152819393838718                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1295703971023010       0.84804220316391377              258         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1667.78997 -1669.39317     1.60320     1.30000     1.23323
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.5210104532700777                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.6658489641375174        1.1448385108674397              259         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1668.30061 -1669.39317     1.09256     1.30000     0.84043
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.70647345987511967                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6466888920206340       0.94021543214551417              260         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1668.19524 -1669.39317     1.19794     1.30000     0.92149
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.84928796415312258                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8236893275776698       0.97440136342454731              261         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1668.24524 -1669.39317     1.14794     1.30000     0.88303
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.77988338020921888                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7375421269006539       0.95765874669143514              262         132          64          42          25           1
 Error in F0          25   1.1979196490187094       -1581.2924004236015       -1582.4403199999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059241799E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              263         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -841.06782  -846.06780     4.99998     1.30000     3.84614
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    14.792926451019996                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    18.161468387752404        3.3685419367324072              264         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059241527E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              265         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -841.06782  -846.06780     4.99998     1.30000     3.84614
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    14.792926451019996                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    18.161468387752404        3.3685419367324072              266         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -845.77971  -846.06780     0.28809     1.30000     0.22161
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    4.9256912220472050E-002           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.86145982095322382       0.81220290873275180              267         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -843.42376  -846.06780     2.64404     1.30000     2.03387
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    4.1367904617129314                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.4293049481810032        1.2925144864680718              268         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -845.29193  -846.06780     0.77587     1.30000     0.59682
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.35634069614560904                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1927994757602021       0.83645877961459303              269         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -844.51864  -846.06780     1.54915     1.30000     1.19166
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4201916734290827                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3468595080109367       0.92666783458185420              270         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -844.88026  -846.06780     1.18754     1.30000     0.91349
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.83461464174899680                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7078542314814551       0.87323958973245830              271         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -844.82405  -846.06780     1.24375     1.30000     0.95673
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.91548191550331126                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7955877752265379       0.88010585972322652              272         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -844.77405  -846.06780     1.29375     1.30000     0.99519
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.99055608816191609                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8771943731698757       0.88663828500795971              273         132          64          42          25           1
 Error in F0          26   1.2437716450220435       -742.74784827960661       -744.04161999999997     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              274         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.92   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.92   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.0397618524021093        5.0396160089415165              275         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              276         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.92   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.92   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.0397618524021093        5.0396160089415165              277         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.93   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.93   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0424575375208200        1.0423116940602277              278         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.92   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.92   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4190642727954601        2.4189184293348678              279         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.93   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.93   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6552025172295577        1.6550566737689654              280         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.93   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.93   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7878034529367139        1.7876576094761216              281         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.93   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.93   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8073682721369311        1.8072224286763388              282         132          64          42          25           1
 Error in F0          27   9.7390538154250503       -5927.3982961845750       -5937.1373500000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              283         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.91   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.91   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2842473176992177        1.2841014742386254              284         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.88   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.88   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.0350658978709557        4.0349200544103629              285         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              286         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.88   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.88   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.0350658978709557        4.0349200544103629              287         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.92   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.92   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1165928224743160        1.1164469790137237              288         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.90   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.90   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1911902056777364        2.1910443622171440              289         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.91   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.91   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7188521034161182        1.7187062599555258              290         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.90   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.90   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7997169314852293        1.7995710880246369              291         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.90   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.90   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072119247732379        1.8070660813126456              292         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.90   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.90   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8037587022190977        1.8036128587585054              293         132          64          42          25           1
 Error in F0          28   28.950019308743368       -4904.1279524290030       -4933.0279700000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              294         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.8820864865909650        4.8819406431303722              295         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              296         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.8820864865909650        4.8819406431303722              297         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.27   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.27   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.97302331979083312       0.97287747633024069              298         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1647243069144100        2.1645784634538177              299         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6537344532983738        1.6535886098377814              300         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7930569564920198        1.7929111130314275              301         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.26   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072968258084106        1.8071509823478182              302         132          64          42          25           1
 Error in F0          29   10.936266042829692       -6264.2435439571700       -6275.1798099999996     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              303         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.67   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.67   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.5050498223736248        6.5049039789130321              304         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              305         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.67   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.67   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.5050498223736248        6.5049039789130321              306         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.94276258748719299       0.94261674402660056              307         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.68   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.68   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.5033529356103377        2.5032070921497453              308         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5756275075967636        1.5754816641361713              309         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.68   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.68   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7680959293362133        1.7679500858756210              310         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.68   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.68   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8076105783779368        1.8074647349173445              311         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.68   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.68   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7963364496755265        1.7961906062149342              312         132          64          42          25           1
 Error in F0          30   9.1715778368727445       -5684.1702127141671       -5693.2917900000002     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              313         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.28   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.28   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3199006002202185        1.3197547567596262              314         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.25   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.25   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.8670615330301619        5.8669156895695691              315         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              316         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.25   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.25   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.8670615330301619        5.8669156895695691              317         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.29   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.29   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.93902839463771060       0.93888255117711816              318         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.27   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.27   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2625044056783592        2.2623585622177669              319         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.28   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.28   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5840602794535179        1.5839144359929256              320         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.28   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.28   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7787617534127436        1.7786159099521512              321         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.28   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.28   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8076914344372672        1.8075455909766749              322         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.28   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.28   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8031970245964415        1.8030511811358492              323         132          64          42          25           1
 Error in F0          31   26.646096897775895       -5276.4701447017351       -5303.0662400000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              324         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -913.75286  -916.77057     3.01771     2.10000     1.43700
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    2.0650543383583315                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    14.785020542726704        12.719966204368372              325         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059242070E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403519       0.80703882963344276              326         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -913.75286  -916.77057     3.01771     2.10000     1.43700
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    2.0650543383583315                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    14.785020542726704        12.719966204368372              327         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.53824  -916.77057     0.23233     2.10000     0.11063
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.2314816600975959E-002           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.86054109926536537       0.84822628266438937              328         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -915.14555  -916.77057     1.62502     2.10000     0.77382
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.59887102247921020                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.6914261943003748        4.0925551718211644              329         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.19409  -916.77057     0.57648     2.10000     0.27451
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    7.5432270746194047E-002           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2353406874185628        1.1599084166723688              330         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -915.75590  -916.77057     1.01467     2.10000     0.48318
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.23353488525512953                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2529561727751184        2.0194212875199891              331         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -915.94785  -916.77057     0.82272     2.10000     0.39177
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.15355917285092494                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7323016165483689        1.5787424436974440              332         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -915.89785  -916.77057     0.87272     2.10000     0.41558
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.17278184248289472                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8566663704525572        1.6838845279696626              333         132          64          42          25           1
 Error in F0          32  0.85501118000329679       -859.26301881999666       -860.11802999999998     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403608       0.80703882963344276              334         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.85   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.85   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    13.647282925744326        13.647137082283733              335         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403608       0.80703882963344276              336         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.85   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.85   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    13.647282925744326        13.647137082283733              337         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.85671928376242790       0.85657344030183458              338         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.85   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.85   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.9672138534792434        3.9670680100186502              339         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2763933268527241        1.2762474833921307              340         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1541679940910479        2.1540221506304547              341         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7503883109163223        1.7502424674557289              342         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8608967450569416        1.8607509015963482              343         132          64          42          25           1
 Error in F0          33  0.96578235206249186       -855.14457764793747       -856.11036000000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403608       0.80703882963344276              344         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.81   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.81   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    7.9537021786543676        7.9535563351937739              345         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403608       0.80703882963344276              346         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.81   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.81   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    7.9537021786543676        7.9535563351937739              347         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.89431915702326337       0.89417331356267005              348         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.8127780500787907        2.8126322066181975              349         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4452471650989585        1.4451013216383650              350         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.9413703149938295        1.9412244715332361              351         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7914398764198640        1.7912940329592706              352         132          64          42          25           1
 Error in F0          34   1.2500060001736044       -816.24161399982643       -817.49162000000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403608       0.80703882963344276              353         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.7391367960665534        3.7389909526059601              354         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403608       0.80703882963344276              355         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.7391367960665534        3.7389909526059601              356         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0440512577619485        1.0439054143013551              357         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.9576088590133960        1.9574630155528026              358         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7475311006753702        1.7473852572147768              359         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8095670409543796        1.8094211974937862              360         132          64          42          25           1
 Error in F0          35   1.8988578380481067       -791.46798216195191       -793.36684000000002     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403608       0.80703882963344276              361         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    19.839627932483225        19.839482089022631              362         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403608       0.80703882963344276              363         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    19.839627932483225        19.839482089022631              364         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82844568163486965       0.82829983817427633              365         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.3806461009559339        4.3805002574953402              366         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1064770760033147        1.1063312325427213              367         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1828677102556981        2.1827218667951049              368         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6971732520959728        1.6970274086353794              369         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7959371144332665        1.7957912709726731              370         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8729132675548201        1.8727674240942267              371         132          64          42          25           1
 Error in F0          36   1.5417158490990208       -1360.8510340576529       -1362.4427499999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403608       0.80703882963344276              372         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6817223530276273        1.6815765095670339              373         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -0.99   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -0.99   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.7175763497119352        6.7174305062513415              374         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403608       0.80703882963344276              375         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -0.99   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -0.99   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.7175763497119352        6.7174305062513415              376         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.97650849889560942       0.97636265543501610              377         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.8273060813667450        2.8271602379061518              378         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5549216091275042        1.5547757656669108              379         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8541120368582220        1.8539661933976286              380         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8038633121666572        1.8037174687060638              381         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8226193028796909        1.8224734594190974              382         132          64          42          25           1
 Error in F0          37   5.3378199342698860       -997.27470974471566       -1002.6625299999998     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              383         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.51   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.51   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.8845594354145545        5.8844135919539609              384         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              385         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.51   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.51   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.8845594354145545        5.8844135919539609              386         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.90466576035321800       0.90451991689262468              387         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.51   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.51   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2929123101696600        2.2927664667090668              388         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5903312286605831        1.5901853851999896              389         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7811842293896523        1.7810383859290588              390         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8284927917139406        1.8283469482533472              391         132          64          42          25           1
 Error in F0          38   2.5567522791547526       -1515.1718777208453       -1517.7286300000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              392         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.2658052807301470        5.2656594372695533              393         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              394         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.2658052807301470        5.2656594372695533              395         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.98155028934470145       0.98140444588410813              396         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2579958557223536        2.2578500122617604              397         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6526754572106523        1.6525296137500589              398         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7887848694538162        1.7886390259932228              399         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8299615260600670        1.8298156825994736              400         132          64          42          25           1
 Error in F0          39   2.5506246377884221       -718.66842520842908       -721.26904999999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              401         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.61   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.61   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0280716691801759        1.0279258257195825              402         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.60   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.60   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3059353348812004        2.3057894914206072              403         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              404         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.60   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.60   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3059353348812004        2.3057894914206072              405         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.61   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.61   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4736362442042625        1.4734904007436691              406         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.61   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.61   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7672338318848648        1.7670879884242714              407         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.61   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.61   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8080118845151170        1.8078660410545235              408         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.61   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.61   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7986019883219198        1.7984561448613263              409         132          64          42          25           1
 Error in F0          40   10.626019688345485       -607.05593094996073       -617.63194999999996     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              410         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.84   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.84   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              411         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.84   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.84   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              412         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.81   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.81   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              413         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.76   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.76   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              414         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.62   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.62   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              415         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.25   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.25   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              416         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62    0.70   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62    0.70   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              417         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62    3.17   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62    3.17   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              418         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62    9.59   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62    9.59   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              419         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   26.30   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   26.30   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              420         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   69.74   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   69.74   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              421         132          64          42          25           1
 Error in F0          41   0.0000000000000000        69735.239279161047       -848.31501999999455     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              422         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2518814325538345        1.2517355890932411              423         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.8122851916856000        3.8121393482250068              424         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              425         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.8122851916856000        3.8121393482250068              426         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1400979021163999        1.1399520586558065              427         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1417975392924768        2.1416516958318836              428         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7327957250089483        1.7326498815483549              429         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8016324192964788        1.8014865758358853              430         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.87   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8149732510742671        1.8148274076136737              431         132          64          42          25           1
 Error in F0          42   7.4777309296484420       -871.99846862094273       -879.52620000000002     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              432         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.0212996123934541        3.0211537689328609              433         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              434         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.0212996123934541        3.0211537689328609              435         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2827196395009592        1.2825737960403658              436         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2382191905189845        2.2380733470583913              437         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7438643622424697        1.7437185187818762              438         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8013728006059682        1.8012269571453747              439         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8306209345316156        1.8304750910710221              440         132          64          42          25           1
 Error in F0          43   3.3134101175445183       -1310.2623496829058       -1313.6257599999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              441         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.92009251440693107       0.91994667094633775              442         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.97   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.97   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5724004033509469        1.5722545598903535              443         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.95   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.95   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.9851357479047218        5.9849899044441282              444         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              445         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.95   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.95   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.9851357479047218        5.9849899044441282              446         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.99981526896350603       0.99966942550291271              447         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.96   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.96   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.6491880409950155        2.6490421975344223              448         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.97   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.97   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5964557633006700        1.5963099198400765              449         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.97   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.97   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8382080483255703        1.8380622048649768              450         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.97   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.97   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8053809530223639        1.8052351095617705              451         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.97   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.97   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8121206870247863        1.8119748435641929              452         132          64          42          25           1
 Error in F0          44   14.846230154088694       -967.13926895439238       -982.03549999999996     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              453         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.9262799601697194        2.9261341167091262              454         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              455         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.9262799601697194        2.9261341167091262              456         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0588849549466759        1.0587391114860825              457         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7187717273171390        1.7186258838565456              458         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8239312739606102        1.8237854305000167              459         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.33   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7868469760681034        1.7867011326075100              460         132          64          42          25           1
 Error in F0          45   3.8244922070015810       -1332.6902380232129       -1336.4647299999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              461         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.7263172652310330        2.7261714217704398              462         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              463         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.7263172652310330        2.7261714217704398              464         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0480123453681720        1.0478665019075786              465         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5580495162223902        1.5579036727617968              466         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8534665931526266        1.8533207496920332              467         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8033179810073063        1.8031721375467129              468         132          64          42          25           1
 Error in F0          46   4.0396135554769437       -618.33680644452306       -622.37642000000005     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              469         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.40   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.40   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0293672881494949        1.0292214446889014              470         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.39   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.39   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3093039442323202        2.3091581007717270              471         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              472         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.39   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.39   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3093039442323202        2.3091581007717270              473         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.40   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.40   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4728878540219796        1.4727420105613862              474         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.40   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.40   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7669098621670158        1.7667640187064224              475         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.40   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.40   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8080254878469075        1.8078796443863141              476         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.40   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.40   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7986155371592099        1.7984696936986164              477         132          64          42          25           1
 Error in F0          47   10.611505464456675       -396.62106517297866       -407.18257000000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              478         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -608.54249  -610.54322     2.00072     0.30000     6.66908
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    44.476731767026330                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.27   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.27   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    46.858602244920220        2.3818704778938882              479         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              480         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -608.54249  -610.54322     2.00072     0.30000     6.66908
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    44.476731767026330                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.27   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.27   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    46.858602244920220        2.3818704778938882              481         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.49906  -610.54322     0.04415     0.30000     0.14718
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    2.1800905089407262E-002           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82890087517335242       0.80709997008394518              482         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -609.52078  -610.54322     1.02244     0.30000     3.40813
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    11.615468349695615                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.27   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.27   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    12.822278414374020        1.2068100646784052              483         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.41927  -610.54322     0.12395     0.30000     0.41317
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.17084758857321677                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.98204952464773976       0.81120193607452296              484         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.01929  -610.54322     0.52392     0.30000     1.74641
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    3.0500717606160848                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.9572690494939322       0.90719728887784734              485         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.30834  -610.54322     0.23488     0.30000     0.78292
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.61310745530600774                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4384616639158692       0.82535420860986142              486         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.23184  -610.54322     0.31137     0.30000     1.03791
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.0773949036778481                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.9180457174282051       0.84065081375035711              487         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.24953  -610.54322     0.29369     0.30000     0.97897
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =   0.95851445538076741                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7952285646597410       0.83671410927897349              488         132          64          42          25           1
 Error in F0          48   1.1718664630853752       -2276.9380135369147       -2278.1098800000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              489         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.6473720092763200        3.6472261658157268              490         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              491         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.6473720092763200        3.6472261658157268              492         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1412326198320182        1.1410867763714247              493         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0842903007810096        2.0841444573204164              494         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7428581142944992        1.7427122708339058              495         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8030918832117295        1.8029460397511361              496         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8245299343067010        1.8243840908461075              497         132          64          42          25           1
 Error in F0          49   4.7903086473737195       -969.76718106446265       -974.60748999999998     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              498         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.61
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.61
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3816111034755532        1.3814652600149597              499         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.60
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.60
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.6872694269477186        4.6871235834871250              500         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              501         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.60
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.60
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.6872694269477186        4.6871235834871250              502         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0652742380104152        1.0651283945498218              503         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.61
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.61
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3420805992767773        2.3419347558161840              504         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.61
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.61
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6771475206537949        1.6770016771932015              505         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.61
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.61
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7924355525353244        1.7922897090747310              506         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.61
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.61
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072908837678043        1.8071450403072109              507         132          64          42          25           1
 Error in F0          50   10.557539829517657       -611.41062017048239       -621.96816000000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              508         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.87607255533742945       0.87592671187683613              509         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.09   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.09   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4291804122446512        1.4290345687840578              510         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.06   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.06   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    7.5263638855218709        7.5262180420612772              511         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              512         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.06   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.06   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    7.5263638855218709        7.5262180420612772              513         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.87696927412772185       0.87682343066712853              514         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.08   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.08   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4532702315699564        2.4531243881093632              515         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.09   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.09   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4919794631864398        1.4918336197258464              516         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.09   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.09   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7563911203900440        1.7562452769294505              517         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.09   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.09   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8085417292135928        1.8083958857529994              518         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.09   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.09   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8037448554263671        1.8035990119657737              519         132          64          42          25           1
 Error in F0          51   25.274895857109090       -2089.6108956601297       -2114.8357900000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              520         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.98   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.98   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1989205347115381        1.1987746912509447              521         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.97   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.97   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.4579201841508684        3.4577743406902752              522         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              523         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.97   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.97   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.4579201841508684        3.4577743406902752              524         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.98   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.98   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1840565372450942        1.1839106937845008              525         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.97   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.97   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.6333934260666476        2.6332475826060544              526         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.98   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.98   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6738872451070297        1.6737414016464363              527         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.98   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.98   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8177440622123413        1.8175982187517479              528         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.98   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.98   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8068092296180249        1.8066633861574315              529         132          64          42          25           1
 Error in F0          52   11.178674583156694       -976.01371541684330       -987.19239000000005     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              530         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.8839828632023767        3.8838370197417835              531         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              532         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.8839828632023767        3.8838370197417835              533         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0421626506719728        1.0420168072113793              534         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.9875831473544581        1.9874373038938646              535         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7346831663069247        1.7345373228463312              536         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8036143764695769        1.8034685330089835              537         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8310540736250742        1.8309082301644808              538         132          64          42          25           1
 Error in F0          53   4.3159911913589193       -2118.5076985489363       -2122.8736899999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              539         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.91764134169280509       0.91749549823221177              540         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.76   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.76   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5568510375623843        1.5567051941017909              541         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.73   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.73   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.8826754946339541        5.8825296511733605              542         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              543         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.73   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.73   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.8826754946339541        5.8825296511733605              544         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.76   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.76   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0034440263523117        1.0032981828917182              545         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.75   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.75   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.6241503533195010        2.6240045098589078              546         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.76   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.76   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6024709533382133        1.6023251098776199              547         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.75   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.75   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8362421545520409        1.8360963110914474              548         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.75   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.75   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8055476246452806        1.8054017811846872              549         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.75   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.75   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8103127466831659        1.8101669032225725              550         132          64          42          25           1
 Error in F0          54   20.999536796162349       -1753.1475119431204       -1774.1970500000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              551         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.83   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.83   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.8165684395415402        3.8164225960809470              552         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              553         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.83   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.83   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.8165684395415402        3.8164225960809470              554         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.83   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.83   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.95939391607723434       0.95924807261664102              555         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.83   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.83   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7915180291837547        1.7913721857231613              556         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.83   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.83   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8203119524440132        1.8201661089834198              557         132          64          42          25           1
 Error in F0          55   4.7130290836400714       -1830.7164809163598       -1835.4295099999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              558         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0277066467290821        1.0275608032684886              559         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3049862764996534        2.3048404330390602              560         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              561         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3049862764996534        2.3048404330390602              562         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4738489192396445        1.4737030757790510              563         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7673252715352383        1.7671794280746449              564         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8080080646630519        1.8078622212024584              565         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.95   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8012821493443523        1.8011363058837588              566         132          64          42          25           1
 Error in F0          56   14.882157569165516       -949.64306332450906       -964.47522000000004     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              567         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.6400055699234262        4.6398597264628325              568         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              569         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.6400055699234262        4.6398597264628325              570         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.16   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.16   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82802338706447531       0.82787754360388199              571         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3710125697267816        1.3708667262661882              572         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.5387647374555304        2.5386188939949372              573         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7077597587298601        1.7076139152692666              574         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8143878680895911        1.8142420246289976              575         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.15   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7997799348987737        1.7996340914381803              576         132          64          42          25           1
 Error in F0          57   15.065544218712539       -6152.3760566859646       -6167.3915999999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              577         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.45   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.45   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.88708180720741137       0.88693596374681805              578         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.42   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.42   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3477172317045669        1.3475713882439735              579         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.33   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.33   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.4622974337819157        4.4621515903213220              580         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              581         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.33   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.33   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.4622974337819157        4.4621515903213220              582         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.44   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.44   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0806358465068711        1.0804900030462776              583         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.38   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.38   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2891993749607820        2.2890535315001888              584         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.41   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.41   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6915537729280161        1.6914079294674227              585         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.40   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.40   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7952140675235253        1.7950682240629319              586         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.40   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.40   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072546324136809        1.8071087889530875              587         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.40   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.40   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8059080487650356        1.8057622053044422              588         132          64          42          25           1
 Error in F0          58   74.262311461525954       -5401.0831129949584       -5475.2954200000004     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              589         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.55   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.55   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.92716294909882524       0.92701710563823192              590         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.51   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.51   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.4881588261503427        3.4880129826897495              591         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              592         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.51   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.51   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.4881588261503427        3.4880129826897495              593         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.55   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.55   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.91832445606810775       0.91817861260751443              594         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.53   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.53   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4955140174823898        1.4953681740217963              595         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.52   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.52   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0828295136430479        2.0826836701824547              596         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.53   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.53   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7711368979175255        1.7709910544569321              597         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.53   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.53   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8038048113542033        1.8036589678936099              598         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.53   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.53   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8081873799030079        1.8080415364424145              599         132          64          42          25           1
 Error in F0          59   41.611118665391011       -5525.5167813346097       -5567.1279000000004     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              600         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.9841680521882967        5.9840222087277031              601         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              602         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.9841680521882967        5.9840222087277031              603         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.90004733704065465       0.89990149358006133              604         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0466506545824275        2.0465048111218342              605         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6579812018561018        1.6578353583955083              606         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7947896898782103        1.7946438464176169              607         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.44   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8228433589934769        1.8226975155328835              608         132          64          42          25           1
 Error in F0          60   4.3573716870864194       -2441.6743680507261       -2446.0817400000001     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              609         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.90024750859424951       0.90010166513365619              610         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.98    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.98    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5555169844287520        1.5553711409681585              611         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.95    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.95    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.2414804159665156        6.2413345725059219              612         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              613         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.95    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.95    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.2414804159665156        6.2413345725059219              614         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.95963199465564364       0.95948615119505032              615         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.97    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.97    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.6452523514499897        2.6451065079893965              616         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.98    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.98    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5742369163532945        1.5740910728927011              617         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.97    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.97    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7679818729829913        1.7678360295223978              618         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.97    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.97    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8079463057022711        1.8078004622416777              619         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.97    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.97    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8029505267364201        1.8028046832758267              620         132          64          42          25           1
 Error in F0          61   20.906374494330532       -1973.6131967607969       -1994.4695700000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              621         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -44.38402   -45.38423     1.00020     1.00000     1.00020
 RMS in reference free energies =    1.0005541703145790                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.8075474278260133        3.8069932575114342              622         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333365E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              623         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -44.38402   -45.38423     1.00020     1.00000     1.00020
 RMS in reference free energies =    1.0005541703145790                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.8075474278260133        3.8069932575114342              624         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.13405   -45.38423     0.25018     1.00000     0.25018
 RMS in reference free energies =    6.2736581373795425E-002           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0572300153794225       0.99449343400562706              625         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -44.75904   -45.38423     0.62519     1.00000     0.62519
 RMS in reference free energies =   0.39101187442264052                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3698547159165195        1.9788428414938790              626         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -44.91979   -45.38423     0.46444     1.00000     0.46444
 RMS in reference free energies =   0.21585066159156566                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6694141090562220        1.4535634474646564              627         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -44.86979   -45.38423     0.51444     1.00000     0.51444
 RMS in reference free energies =   0.26479472828891121                9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8651268481750831        1.6003321198861720              628         132          64          42          25           1
 Error in F0          62  0.51423623789373429        11.932796237893733        11.418559999999999     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403630       0.80703882963344298              629         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    10.835699050267932        10.835553206807338              630         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403719       0.80703882963344387              631         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    10.835699050267932        10.835553206807338              632         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.88652070133753447       0.88637485787694115              633         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.5215520315598772        3.5214061880992840              634         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3500701690674226        1.3499243256068292              635         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0218360881760695        2.0216902447154763              636         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7105014708507462        1.7103556273901528              637         132          64          42          25           1
 Error in F0          63  0.32943775771332096        7.4793677577133222        7.1499300000000012     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403719       0.80703882963344387              638         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.6405507228808673        6.6404048794202737              639         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309403896       0.80703882963344564              640         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.6405507228808673        6.6404048794202737              641         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.94458916249772551       0.94444331903713219              642         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.6186730906271549        2.6185272471665617              643         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5232676358939652        1.5231217924333718              644         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7575968680030976        1.7574510245425041              645         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059333075E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0145018561784296        2.0143560127178364              646         132          64          42          25           1
 Error in F0          64  0.43694461906250531        7.7183946460242385        7.2314499999999988     
           5  -2192.5000267212472       -2192500.0267212470        0.0000000000000000     
           6  -1564.8457569288873       -1564845.7569288872        0.0000000000000000     
          15  -3230.9296672986825       -3230929.6672986825        0.0000000000000000     
          19  -3048.4199699285718       -3048419.9699285720        0.0000000000000000     
          25  -1669.3931571437745       -1669393.1571437744        0.0000000000000000     
          26  -846.06781862843911       -846067.81862843921        0.0000000000000000     
          32  -916.75286092436670       -916752.86092436663        0.0000000000000000     
          48  -2442.1699703339555       -2442169.9703339553        0.0000000000000000     
          62  -45.384024418896274       -45384.024418896275        0.0000000000000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T
 func =   0.80718467309416220       0.80703882963356233              647         132          64          42          25           1
 Begin derivative calculation
 WARNING: Volume failed for logical reasons   149.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   117.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   101.00000000000000        2250.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   104.00000000000000        2375.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   113.00000000000000        2100.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   116.00000000000000        2250.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   124.00000000000000        2180.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   128.00000000000000        2420.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   141.00000000000000        2040.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   151.00000000000000        2090.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.00000000000000        800.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.00000000000000        800.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   127.00000000000000        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   127.00000000000000        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   122.90000000000001        2800.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   129.09999999999999        3750.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   139.40000000000001        3680.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   144.00000000000000        3960.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   136.09999999999999        1640.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   146.40000000000001        2560.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   145.09999999999999        3200.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   158.50000000000000        2690.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   169.09999999999999        4100.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   171.00000000000000        4380.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   149.30000000000001        4200.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   131.69999999999999        3680.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   119.00000000000000        2520.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   133.19999999999999        2170.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   135.80000000000001        2750.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   102.20000000000000        1870.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   101.09999999999999        1930.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.40000000000001        1600.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   96.900000000000006        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   97.900000000000006        2480.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   105.20000000000000        2180.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.20000000000000        2560.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.20000000000000        1820.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.59999999999999        1670.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   99.900000000000006        2900.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   103.09999999999999        2840.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   157.09999999999999        2570.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   169.69999999999999        2290.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   145.30000000000001        3110.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   142.50000000000000        3540.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   156.30000000000001        2980.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   186.00000000000000        2590.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   186.00000000000000        2590.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   158.40000000000001        3170.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   158.40000000000001        3170.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   164.00000000000000        2990.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   164.00000000000000        2990.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   148.90000000000001        3510.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   148.90000000000001        3510.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   161.90000000000001        2950.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   161.90000000000001        2950.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   137.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   175.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        2140.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        2140.0000000000000               61  -2.0000000000000000        53.868398470273199     
 WARNING: Volume failed for logical reasons   121.50000000000000        4000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        4000.0000000000000               61  -2.0000000000000000        53.868398470273199     
 WARNING: Volume failed for logical reasons   95.000000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                3  -2.0000000000000000        159.04800000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               11  -2.0000000000000000        62.676000000000002     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               13  -2.0000000000000000        59.140000000000001     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   200.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   200.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   227.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   227.00000000000000        2000.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000                3  -2.0000000000000000        159.04800000000000     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000               26  -2.0000000000000000        30.286999999999999     
 End derivative calculation
    -0.43306E-01     0.57254E-02    -0.67540E-01     0.11335E+00    -0.87385E-02    -0.22303E-02     0.12427E+00     0.87726E-02     0.19665E+00     0.91533E-03    -0.31996E-01    -0.13958E-01    -0.20525E-01    -0.83564E-01    -0.11176E-02     0.27917E-01    -0.44998E-01    -0.11253E-01     0.92521E-02     0.10309E-02     0.00000E+00     0.46303E-01     0.43922E+00     0.85728E-01     0.18751E-01     0.16318E+00    -0.72309E-01    -0.35309E-01    -0.33822E-01    -0.30836E-01    -0.17067E-01    -0.99892E-02     0.56619E-03    -0.57078E-02    -0.84491E-02    -0.60693E+00     0.71305E-01     0.42199E-01     0.71729E-01    -0.26705E+00     0.00000E+00     0.50463E-01    -0.17661E+00    -0.94169E-01     0.20195E-26     0.79214E-02    -0.79214E-02    -0.35550E-01     0.40528E-01     0.91286E-01     0.12622E-25    -0.89321E-01     0.33805E-01    -0.10231E+00    -0.23357E-01    -0.24289E+00     0.11901E-01    -0.48984E-02     0.54517E-02     0.28871E-01    -0.30292E-26     0.36275E+00    -0.48720E-01    -0.24630E+00     0.12149E-02    -0.17272E-01     0.11980E+00     0.72034E-01     0.21739E-02     0.64241E-03     0.51803E-01    -0.46353E-02    -0.38985E-01     0.15339E+00     0.87783E-01    -0.63814E-01     0.00000E+00     0.10724E-01     0.66387E-01     0.11858E-01    -0.21495E-01     0.12889E-01    -0.36706E-02    -0.27090E-01    -0.14207E-01     0.38293E-01     0.11594E-01    -0.32901E-01    -0.23899E-01    -0.12055E-01    -0.13156E+00    -0.21599E-01     0.50487E-27     0.11508E-02    -0.10880E-02     0.32332E-01     0.37471E-26     0.68339E-02    -0.12345E-01
    -0.89632E-02    -0.83989E-01    -0.18646E-01     0.26843E-01     0.49303E-02     0.18703E-01    -0.34634E-01     0.40826E-01    -0.20661E+00     0.12330E-03     0.84577E-01     0.29555E-01     0.00000E+00     0.26369E-01    -0.36711E-01    -0.97636E-01    -0.14417E-01     0.16885E-01    -0.12985E+00    -0.63435E-02     0.18949E-01     0.25594E-01     0.28355E-01     0.81287E-01    -0.89015E-01     0.38968E-01     0.94708E-02    -0.85688E-01     0.67441E-01     0.15963E-04    -0.85492E-02     0.15595E-02     0.13997E-01
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              648         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  721.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  721.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80807565372399870       0.80792981026339883              649         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  722.60  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  722.60  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81561817452439045       0.81547233106379058              650         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  726.76  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  726.76  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.99973754105079937       0.99959169759019950              651         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  737.58  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  737.58  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.5998074097760884        3.5996615663154885              652         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              653         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  737.58  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  737.58  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.5998074097760884        3.5996615663154885              654         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  726.30  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  726.30  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.96017246347214036       0.96002662001154049              655         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  731.94  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  731.94  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8399586979755889        1.8398128545149890              656         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  731.73  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  731.73  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7914370898181309        1.7912912463575310              657         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  731.80  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  731.80  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8070493356594786        1.8069034921988787              658         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  731.85  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  731.85  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8185777027226193        1.8184318592620194              659         132          64          42          25           1
 Error in theta0           2          65   731.84651064616935        11.792919937849144     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              660         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  857.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  857.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80824728469381091       0.80810144123321104              661         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  858.97  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  858.97  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81461050884463393       0.81446466538403406              662         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  863.13  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  863.13  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.86463514459494162       0.86448930113434175              663         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  873.95  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  873.95  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3215361161708614        1.3213902727102615              664         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  902.07  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  902.07  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.6723131625223679        6.6721673190617681              665         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              666         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  902.07  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  902.07  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.6723131625223679        6.6721673190617681              667         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  864.16  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  864.16  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.88615233297319107       0.88600648951259120              668         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  883.11  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  883.11  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2568141308792300        2.2566682874186301              669         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  876.90  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  876.90  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5598299959520967        1.5596841524914968              670         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  879.10  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  879.10  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7741682149898310        1.7740223715292311              671         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  879.42  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  879.42  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8075563084199882        1.8074104649593883              672         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  879.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  879.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8022382730428366        1.8020924295822367              673         132          64          42          25           1
 Error in theta0           3          66   879.36978697695929        23.050288360721570     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              674         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  795.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  795.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80821775408264751       0.80807191062204764              675         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  796.81  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  796.81  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81365616654353012       0.81351032308293025              676         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  800.97  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  800.97  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.84939585173408971       0.84925000827348984              677         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  811.79  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  811.79  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0850125074345847        1.0848666639739848              678         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  839.91  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  839.91  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.6067282931567513        2.6065824496961514              679         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              680         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  839.91  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  839.91  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.6067282931567513        2.6065824496961514              681         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  819.61  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  819.61  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3796601773290298        1.3795143338684299              682         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  826.68  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  826.68  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7330338587778946        1.7328880153172947              683         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  828.04  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  828.04  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8101158761961920        1.8099700327355921              684         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  827.99  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  827.99  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8071309408823513        1.8069850974217514              685         132          64          42          25           1
 Error in theta0           4          67   827.98659317198485        33.774753171984827     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              686         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  846.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  846.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82013478725972533       0.81998894379912546              687         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  847.80  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  847.80  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.88778994382093068       0.88764410036033081              688         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  851.96  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  851.96  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4244986875901340        1.4243528441295341              689         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  862.78  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  862.78  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    7.1524677316785681        7.1523218882179682              690         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              691         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  862.78  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  862.78  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    7.1524677316785681        7.1523218882179682              692         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  847.97  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  847.97  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.89841949464926918       0.89827365118866931              693         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  855.37  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  855.37  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4370011860194922        2.4368553425588924              694         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  852.34  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  852.34  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5094797948823535        1.5093339514217536              695         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  853.32  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  853.32  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7566992973069013        1.7565534538463015              696         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  853.50  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  853.50  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8086460108739344        1.8085001674133345              697         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  853.45  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  853.45  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7943530298851300        1.7942071864245301              698         132          64          42          25           1
 Error in theta0           7          68   853.45042303795390        8.2991035366451147     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              699         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  648.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  648.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80948372315393036       0.80933787969333049              700         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  649.95  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  649.95  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82267575929549475       0.82252991583489488              701         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  654.11  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  654.11  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.91115809710605311       0.91101225364545324              702         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  664.92  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  664.92  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4975434102550211        1.4973975667944213              703         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  693.04  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  693.04  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.2666179392346057        5.2664720957740059              704         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404573       0.80703882963344586              705         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  693.04  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  693.04  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.2666179392346057        5.2664720957740059              706         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  657.59  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  657.59  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0447177628385032        1.0445719193779033              707         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  675.32  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  675.32  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.5263726969012503        2.5262268534406505              708         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  666.71  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  666.71  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6431007667539477        1.6429549232933478              709         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  668.31  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  668.31  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7841884141881241        1.7840425707275243              710         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  668.57  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  668.57  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8074424119030750        1.8072965684424751              711         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  668.52  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  668.52  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8028154504402649        1.8026696069796651              712         132          64          42          25           1
 Error in theta0           8          69   668.51514165976494        21.219552933683072     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404573       0.80703882963344586              713         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  876.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  876.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82301870211678607       0.82287285865618620              714         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  877.74  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  877.74  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.91428797046506105       0.91414212700446118              715         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  881.90  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  881.90  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5194771051199496        1.5193312616593497              716         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  892.71  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  892.71  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.3710790289375483        6.3709331854769484              717         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309405240       0.80703882963345253              718         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  892.71  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  892.71  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.3710790289375483        6.3709331854769484              719         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  878.29  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  878.29  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.96408653435318914       0.96394069089258927              720         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  885.50  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  885.50  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.5575223933917139        2.5573765499311141              721         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  882.11  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  882.11  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5666740148950375        1.5665281714344377              722         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  882.93  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  882.93  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7658522417265203        1.7657063982659205              723         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  883.09  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  883.09  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8081374757577204        1.8079916322971206              724         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  883.04  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  883.04  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7949816919348560        1.7948358484742561              725         132          64          42          25           1
 Error in theta0           9          70   883.04412677670530        7.9590172549913332     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309405240       0.80703882963345253              726         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  663.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  663.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81690331922786341       0.81675747576726354              727         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  665.44  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  665.44  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.86099013611422093       0.86084429265362106              728         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  669.60  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  669.60  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2512767986650046        1.2511309552044048              729         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  680.42  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  680.42  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.1241697633996246        6.1240239199390247              730         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404440       0.80703882963344453              731         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  680.42  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  680.42  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.1241697633996246        6.1240239199390247              732         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  666.15  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  666.15  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.89478647435341951       0.89464063089281964              733         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  673.28  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  673.28  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1676898339963939        2.1675439905357941              734         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  671.26  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  671.26  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5807069515387566        1.5805611080781568              735         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  672.04  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  672.04  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7815464798866856        1.7814006364260857              736         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  672.14  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  672.14  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8076277227590214        1.8074818792984215              737         132          64          42          25           1
 Error in theta0          10          71   672.13567807298318        9.2926380729832321     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404440       0.80703882963344453              738         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  683.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  683.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80851625193164245       0.80837040847104258              739         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  685.28  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  685.28  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.84448204772331081       0.84433620426271094              740         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  689.44  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  689.44  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1837774220384285        1.1836315785778286              741         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  700.25  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  700.25  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.8338312873058245        3.8336854438452246              742         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              743         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  700.25  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  700.25  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.8338312873058245        3.8336854438452246              744         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  688.49  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  688.49  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0749324592965870        1.0747866158359871              745         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  694.37  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  694.37  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0389612340821452        2.0388153906215454              746         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  692.96  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  692.96  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7435892814605243        1.7434434379999244              747         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  693.26  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  693.26  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8036968485171798        1.8035510050565799              748         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  693.31  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  693.31  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8137392169287700        1.8135933734681702              749         132          64          42          25           1
 Error in theta0          12          72   693.31003295538653        10.581382319758600     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              750         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  784.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  784.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80893085286514899       0.80878500940454912              751         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  786.54  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  786.54  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81912365492609729       0.81897781146549742              752         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  790.70  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  790.70  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.88783583632809115       0.88768999286749128              753         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  801.52  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  801.52  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3452249416877151        1.3450790982271152              754         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  829.64  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  829.64  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.3083337929166117        4.3081879494560118              755         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404762       0.80703882963344775              756         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  829.64  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  829.64  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.3083337929166117        4.3081879494560118              757         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  796.99  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  796.99  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1056601708465668        1.1055143273859669              758         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  813.32  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  813.32  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2863240178541746        2.2861781743935747              759         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  806.69  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  806.69  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7024489292455602        1.7023030857849604              760         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  807.88  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  807.88  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7968158857695489        1.7966700423089490              761         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  808.01  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  808.01  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072370441489738        1.8070912006883739              762         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  807.96  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  807.96  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8031533422084540        1.8030074987478542              763         132          64          42          25           1
 Error in theta0          13          73   807.95753044187222        24.066801886625260     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404762       0.80703882963344775              764         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  745.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  745.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82051887634594134       0.82037303288534147              765         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  747.15  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  747.15  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.89288891168670925       0.89274306822610938              766         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  751.31  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  751.31  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3706810762756056        1.3705352328150058              767         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  762.12  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  762.12  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.5234086151474653        4.5232627716868654              768         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              769         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  762.12  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  762.12  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.5234086151474653        4.5232627716868654              770         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  749.28  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  749.28  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0854987413688508        1.0853528979082510              771         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  755.70  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  755.70  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3225386830320311        2.3223928395714313              772         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  753.03  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  753.03  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6884729622397940        1.6883271187791942              773         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  753.53  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  753.53  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7943661218127822        1.7942202783521823              774         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  753.59  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  753.59  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072647530499297        1.8071189095893299              775         132          64          42          25           1
 Error in theta0          14          74   753.58593198295705        9.0370019829569532     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              776         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  807.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  807.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82128377559110921       0.82113793213050934              777         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  809.24  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  809.24  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.90191995613163978       0.90177411267103991              778         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  813.40  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  813.40  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4429864679776117        1.4428406245170118              779         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  824.22  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  824.22  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.0394901072392546        5.0393442637786547              780         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              781         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  824.22  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  824.22  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.0394901072392546        5.0393442637786547              782         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  810.80  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  810.80  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0481357967689082        1.0479899533083084              783         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  817.51  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  817.51  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4396215204273832        2.4394756769667834              784         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  814.46  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  814.46  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6553606182585487        1.6552147747979489              785         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  815.05  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  815.05  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7875525821257521        1.7874067386651522              786         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  815.13  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  815.13  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8073727881176791        1.8072269446570792              787         132          64          42          25           1
 Error in theta0          17          75   815.13270366094594        8.4895536609459139     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              788         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  823.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  823.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.83212959240883977       0.83198374894823990              789         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  825.50  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  825.50  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.98849376461760130       0.98834792115700143              790         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  829.66  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  829.66  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1007292083653573        2.1005833649047574              791         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404507       0.80703882963344520              792         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  829.66  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  829.66  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1007292083653573        2.1005833649047574              793         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  828.12  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  828.12  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5714254610411591        1.5712796175805592              794         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  828.81  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  828.81  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7900636175429745        1.7899177740823746              795         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  828.86  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  828.86  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8073350180039236        1.8071891745433237              796         132          64          42          25           1
 Error in theta0          20          76   828.85581543590581        5.9597954359058356     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404507       0.80703882963344520              797         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  699.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  699.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80927729018783867       0.80913144672723880              798         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  701.32  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  701.32  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.83615271562003413       0.83600687215943426              799         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  705.48  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  705.48  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1246095584755533        1.1244637150149535              800         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  716.30  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  716.30  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.4293513232572659        4.4292054797966660              801         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              802         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  716.30  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  716.30  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.4293513232572659        4.4292054797966660              803         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  703.57  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  703.57  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.94808597217232915       0.94794012871172928              804         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  709.94  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  709.94  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.9534764978607084        1.9533306544001086              805         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  709.01  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  709.01  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7253037803439231        1.7251579368833232              806         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  709.34  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  709.34  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8036442933258565        1.8034984498652566              807         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  709.39  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  709.39  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8157769542100264        1.8156311107494265              808         132          64          42          25           1
 Error in theta0          21          77   709.39152929819249        10.620668660207297     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              809         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  799.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  799.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80758890055268195       0.80744305709208208              810         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  801.39  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  801.39  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80986673665812337       0.80972089319752349              811         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  805.55  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  805.55  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82530462042893582       0.82515877696833595              812         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  816.36  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  816.36  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.96651295163461981       0.96636710817401994              813         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  844.48  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  844.48  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3022948073631930        2.3021489639025932              814         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309405417       0.80703882963345430              815         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  844.48  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  844.48  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3022948073631930        2.3021489639025932              816         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  829.35  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  829.35  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3835750092207630        1.3834291657601632              817         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  836.33  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  836.33  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7222998062933756        1.7221539628327758              818         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  837.82  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  837.82  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8095575227675993        1.8094116793069994              819         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  837.77  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  837.77  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8065422263019890        1.8063963828413891              820         132          64          42          25           1
 Error in theta0          22          78   837.77077001487589        38.984960014875966     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309405417       0.80703882963345430              821         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  933.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  933.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81472783024473372       0.81458198678413385              822         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  935.20  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  935.20  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.85477101043243420       0.85462516697183433              823         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  939.36  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  939.36  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1613153647679788        1.1611695213073789              824         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  950.18  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  950.18  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.1642477908605553        4.1641019473999554              825         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404818       0.80703882963344831              826         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  950.18  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  950.18  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.1642477908605553        4.1641019473999554              827         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  937.84  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  937.84  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0064367472650004        1.0062909038044006              828         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  944.01  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  944.01  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0073969588691036        2.0072511154085038              829         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  942.77  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  942.77  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7190336017859411        1.7188877583253412              830         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  943.15  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  943.15  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8021278615164125        1.8019820180558126              831         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  943.20  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  943.20  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8134705445535013        1.8133247010929014              832         132          64          42          25           1
 Error in theta0          23          79   943.20087278321591        10.548872149538589     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404818       0.80703882963344831              833         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  782.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  782.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80730416096997748       0.80715831750937761              834         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  783.96  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  783.96  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80794143017493658       0.80779558671433671              835         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  788.12  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  788.12  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81214324321209597       0.81199739975149610              836         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  798.94  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  798.94  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.83987273233310755       0.83972688887250768              837         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  827.06  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  827.06  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0189134238382656        1.0187675803776657              838         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  900.18  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  900.18  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1045302956455627        2.1043844521849628              839         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              840         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  900.18  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  900.18  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1045302956455627        2.1043844521849628              841         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  872.94  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  872.94  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6059441262178189        1.6057982827572190              842         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  883.94  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  883.94  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7947600025780230        1.7946141591174232              843         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  884.63  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  884.63  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072631380863673        1.8071172946257674              844         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  884.58  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  884.58  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8063602948855955        1.8062144514249956              845         132          64          42          25           1
 Error in theta0          24          80   884.57946348988787        103.26771968669583     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              846         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  845.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  845.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80845689868981330       0.80831105522921343              847         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  847.34  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  847.34  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81585615613360352       0.81571031267300365              848         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  851.50  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  851.50  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.86571888569358801       0.86557304223298814              849         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  862.31  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  862.31  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1979891511791463        1.1978433077185464              850         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  890.43  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  890.43  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.9216475716598502        3.9215017281992504              851         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              852         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  890.43  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  890.43  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.9216475716598502        3.9215017281992504              853         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  859.41  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  859.41  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0805088844328383        1.0803630409722385              854         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  874.92  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  874.92  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0192048051404248        2.0190589616798249              855         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  871.42  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  871.42  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7305365875127736        1.7303907440521737              856         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  872.35  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  872.35  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8024479312163724        1.8023020877557725              857         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  872.41  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  872.41  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8071989808287141        1.8070531373681142              858         132          64          42          25           1
 Error in theta0          31          81   872.40889530238042        27.671675302380418     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              859         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  881.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  881.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80985685910155514       0.80971101564095527              860         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  882.84 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  882.84 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82509754048626660       0.82495169702566673              861         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  887.00 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  887.00 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.94623370557027919       0.94608786210967932              862         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  897.82 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  897.82 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0890413117669975        2.0888954683063976              863         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              864         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  897.82 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  897.82 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0890413117669975        2.0888954683063976              865         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  893.95 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  893.95 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5075923655434720        1.5074465220828721              866         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  895.94 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  895.94 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7787884382704409        1.7786425948098410              867         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  896.11 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  896.11 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8046605402440719        1.8045146967834720              868         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  896.16 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  896.16 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8122925314557266        1.8121466879951267              869         132          64          42          25           1
 Error in theta0          33          82   896.16354589685307        15.874084943662949     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              870         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1093.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1093.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81170643413437038       0.81156059067377051              871         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1094.77 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1094.77 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.83763398951308488       0.83748814605248501              872         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1098.93 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1098.93 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0333990510768549        1.0332532076162551              873         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1109.75 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1109.75 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.7757121918144652        2.7755663483538653              874         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              875         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1109.75 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1109.75 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.7757121918144652        2.7755663483538653              876         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1101.10 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1101.10 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2282123192988974        1.2280664758382975              877         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1104.33 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1104.33 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6613906566812660        1.6612448132206661              878         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1105.28 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1105.28 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8210609514187075        1.8209151079581076              879         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1105.20 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1105.20 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8065948750163781        1.8064490315557782              880         132          64          42          25           1
 Error in theta0          34          83   1105.1984819365280        13.028011936527887     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              881         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1129.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1129.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81012303372697714       0.80997719026637727              882         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1131.55  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1131.55  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82712730977087068       0.82698146631027081              883         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1135.71  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1135.71  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.94170581540306597       0.94155997194246610              884         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1146.52  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1146.52  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.9591531049002584        1.9590072614396585              885         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              886         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1146.52  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1146.52  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.9591531049002584        1.9590072614396585              887         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1144.20  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1144.20  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6293453333070835        1.6291994898464837              888         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1145.45  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1145.45  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7995745734004731        1.7994287299398732              889         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1145.50  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1145.50  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8068897489794913        1.8067439055188914              890         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1145.55  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1145.55  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8140974666409140        1.8139516231803141              891         132          64          42          25           1
 Error in theta0          35          84   1145.5544720982386        16.558571103979517     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              892         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  881.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  881.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.83809145975645805       0.83794561629585818              893         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  882.62  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  882.62  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0073073643023307        1.0071615208417308              894         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  886.78  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  886.78  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3052586072984638        2.3051127638378639              895         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404052       0.80703882963344065              896         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  886.78  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  886.78  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3052586072984638        2.3051127638378639              897         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  884.53  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  884.53  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4364624827355159        1.4363166392749160              898         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  885.49  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  885.49  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7556558538000646        1.7555100103394647              899         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  885.63  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  885.63  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8086598599826285        1.8085140165220286              900         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  885.58  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  885.58  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7895822991124428        1.7894364556518429              901         132          64          42          25           1
 Error in theta0          36          85   885.58076034683904        5.6118106842927533     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404052       0.80703882963344065              902         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  747.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  747.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80895482439628308       0.80880898093568321              903         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  749.16  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  749.16  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81896370217007008       0.81881785870947021              904         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  753.32  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  753.32  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.88590992539015212       0.88576408192955225              905         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  764.14  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  764.14  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3298897912661138        1.3297439478055140              906         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  792.26  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  792.26  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.1970122335575466        4.1968663900969467              907         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              908         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  792.26  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  792.26  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.1970122335575466        4.1968663900969467              909         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  760.05  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  760.05  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1166629190787609        1.1165170756181610              910         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  776.15  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  776.15  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2621292896631653        2.2619834462025654              911         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  769.76  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  769.76  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7095224859680098        1.7093766425074099              912         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  770.89  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  770.89  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7979725034200122        1.7978266599594124              913         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  771.00  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  771.00  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072260190239056        1.8070801755633057              914         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  770.95  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  770.95  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8032123277025534        1.8030664842419535              915         132          64          42          25           1
 Error in theta0          37          86   770.95208413735702        24.437535604354160     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              916         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  859.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  859.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81092316928276054       0.81077732582216067              917         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  860.87  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  860.87  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.84845132292767544       0.84830547946707557              918         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  865.03  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  865.03  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2615016203581493        1.2613557768975494              919         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  875.84  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  875.84  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.3063892811281166        6.3062434376675167              920         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              921         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  875.84  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  875.84  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.3063892811281166        6.3062434376675167              922         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  861.46  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  861.46  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.87570063790144947       0.87555479444084960              923         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  868.65  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  868.65  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1682885336788167        2.1681426902182168              924         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  866.64  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  866.64  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5807062152450793        1.5805603717844794              925         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  867.42  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  867.42  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7774573727673730        1.7773115293067732              926         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  867.52  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  867.52  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8078936586570338        1.8077478151964339              927         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  867.47  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  867.47  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7937224263916560        1.7935765829310562              928         132          64          42          25           1
 Error in theta0          38          87   867.47480145670920        9.2597120130369550     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              929         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  614.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  614.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81074372542042672       0.81059788195982685              930         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  616.50  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  616.50  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82868101659220272       0.82853517313160285              931         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  620.66  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  620.66  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.94204358863220883       0.94189774517160896              932         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  631.48  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  631.48  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6743787109688972        1.6742328675082974              933         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  659.60  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  659.60  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    7.3298964139211362        7.3297505704605364              934         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              935         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  659.60  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  659.60  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    7.3298964139211362        7.3297505704605364              936         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  620.91  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  620.91  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.95172913493067246       0.95158329147007259              937         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  640.26  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  640.26  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.7174285032135224        2.7172826597529225              938         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  630.28  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  630.28  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5629775029444222        1.5628316594838223              939         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  633.24  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  633.24  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8510272248163626        1.8508813813557627              940         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  632.79  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  632.79  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8042964087160767        1.8041505652554768              941         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  632.84  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  632.84  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8094448973234059        1.8092990538628060              942         132          64          42          25           1
 Error in theta0          39          88   632.83587175179980        18.931821751799788     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              943         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  726.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  726.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80748898867818786       0.80734314521758799              944         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  728.22  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  728.22  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80933574724496093       0.80918990378436106              945         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  732.38  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  732.38  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82188813854714238       0.82174229508654251              946         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  743.20  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  743.20  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.90559147780844540       0.90544563434784553              947         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  771.32  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  771.32  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4463480070948509        1.4462021636342510              948         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  844.44  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  844.44  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.6987747259810098        4.6986288825204099              949         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              950         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  844.44  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  844.44  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.6987747259810098        4.6986288825204099              951         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  756.15  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  756.15  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0988332435328092        1.0986874000722093              952         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  800.29  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  800.29  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4435517654141554        2.4434059219535555              953         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  779.41  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  779.41  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6821679573934902        1.6820221139328904              954         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  782.84  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  782.84  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7923982482468319        1.7922524047862320              955         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  783.28  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  783.28  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072909037873148        1.8071450603267150              956         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  783.23  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  783.23  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8056297246534501        1.8054838811928502              957         132          64          42          25           1
 Error in theta0          40          89   783.23482166917267        57.662685129678792     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              958         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  693.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  693.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80748186675190281       0.80733602329130294              959         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  694.99  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  694.99  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80923782758531293       0.80909198412471306              960         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  699.15  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  699.15  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82108929257351049       0.82094344911291062              961         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  709.96  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  709.96  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =   0.89971041322659295       0.89956456976599308              962         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  738.08  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  738.08  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4033898703135139        1.4032440268529141              963         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  811.20  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  811.20  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =    4.3748887893250465        4.3747429458644467              964         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              965         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  811.20  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  811.20  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =    4.3748887893250465        4.3747429458644467              966         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  725.69  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  725.69  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1306240129453857        1.1304781694847859              967         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  780.82  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  780.82  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =    2.8847498032326824        2.8846039597720825              968         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  746.95  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  746.95  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6445248900688361        1.6443790466082362              969         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  752.80  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  752.80  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8234677497391063        1.8233219062785064              970         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  752.27  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  752.27  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8065452859778155        1.8063994425172156              971         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  752.32  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  752.32  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8081300182474402        1.8079841747868404              972         132          64          42          25           1
 Error in theta0          42          90   752.32012625246512        59.883532658708283     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              973         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  942.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  942.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =   0.83025087797617780       0.83010503451557793              974         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  944.10  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  944.10  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =   0.93588546912747728       0.93573962566687741              975         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  948.26  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  948.26  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =    1.5855694145841759        1.5854235711235760              976         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  959.07  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  959.07  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =    5.7996807166890401        5.7995348732284402              977         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404707       0.80703882963344720              978         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  959.07  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  959.07  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =    5.7996807166890401        5.7995348732284402              979         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  945.02  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  945.02  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =    1.0331086771118434        1.0329628336512435              980         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  952.05  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  952.05  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =    2.6431779410003911        2.6430320975397912              981         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  948.40  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  948.40  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =    1.6166175713030753        1.6164717278424754              982         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  949.30  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  949.30  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =    1.8314123156785855        1.8312664722179857              983         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  949.19  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  949.19  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =    1.8059377439599269        1.8057919004993270              984         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  949.24  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  949.24  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =    1.8184647880948079        1.8183189446342081              985         132          64          42          25           1
 Error in theta0          43          91   949.24444055936965        7.6964900968352365     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404707       0.80703882963344720              986         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  795.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  795.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =   0.80802237565621704       0.80787653219561717              987         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  796.76  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  796.76  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =   0.81292464462950431       0.81277880116890444              988         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  800.92  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  800.92  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =   0.84599787024899253       0.84585202678839266              989         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  811.73  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  811.73  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =    1.0663233579351785        1.0661775144745786              990         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  839.86  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  839.86  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =    2.4958688375020524        2.4957229940414525              991         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              992         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  839.86  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  839.86  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =    2.4958688375020524        2.4957229940414525              993         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  821.22  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  821.22  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =    1.4139920973657112        1.4138462539051113              994         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  827.99  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  827.99  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =    1.7473883709657243        1.7472425275051244              995         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  829.11  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  829.11  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =    1.8090667058334129        1.8089208623728130              996         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  829.06  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  829.06  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =    1.8062676749053670        1.8061218314447671              997         132          64          42          25           1
 Error in theta0          44          92   829.06023130005485        34.902001300054827     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              998         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  723.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  723.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564              999         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  725.54  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  725.54  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =   0.83810589414380821       0.83796005068320834             1000         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  729.70  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  729.70  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =    1.4197945398859333        1.4196486964253334             1001         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  740.51  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  740.51  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =    8.0045570996286433        8.0044112561680443             1002         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1003         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  740.51  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  740.51  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =    8.0045570996286433        8.0044112561680443             1004         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  725.38  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  725.38  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =   0.83108993098466155       0.83094408752406168             1005         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  732.95  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  732.95  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =    2.5841262993944030        2.5839804559338031             1006         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  729.59  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  729.59  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =    1.3940941281398775        1.3939482846792777             1007         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  730.76  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  730.76  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =    1.7215593566431657        1.7214135131825659             1008         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  731.03  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  731.03  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =    1.8119711140970178        1.8118252706364180             1009         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  730.98  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  730.98  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =    1.7951066133428277        1.7949607698822279             1010         132          64          42          25           1
 Error in theta0          45          93   730.98200412175390        8.0936546081182268     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1011         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  689.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  689.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =   0.80752002026216219       0.80737417680156232             1012         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  690.66  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  690.66  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =   0.80944053560108709       0.80929469214048722             1013         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  694.82  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  694.82  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =   0.87324877985220717       0.87310293639160730             1014         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  705.64  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  705.64  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =    2.9204779086171833        2.9203320651565834             1015         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1016         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  705.64  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  705.64  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =    2.9204779086171833        2.9203320651565834             1017         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  696.38  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  696.38  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =   0.95844309625629198       0.95829725279569211             1018         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  701.01  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  701.01  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =    1.5212419673113085        1.5210961238507086             1019         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  702.75  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  702.75  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =    1.9262764465131386        1.9261306030525387             1020         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  702.24  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  702.24  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =    1.7917922734523555        1.7916464299917556             1021         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  702.30  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  702.30  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =    1.8065362369483084        1.8063903934877086             1022         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  702.35  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  702.35  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =    1.8192300859400772        1.8190842424794773             1023         132          64          42          25           1
 Error in theta0          46          94   702.35067883882220        14.236277983900489     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1024         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  721.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  721.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =   0.80748228780755793       0.80733644434695806             1025         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  723.46  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  723.46  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =   0.80919564039957237       0.80904979693897250             1026         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  727.62  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  727.62  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =   0.82069578070950777       0.82054993724890790             1027         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  738.43  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  738.43  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =   0.89691579503865504       0.89676995157805517             1028         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  766.56  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  766.56  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =    1.3865088135895711        1.3863629701289713             1029         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  839.67  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  839.67  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =    4.2993376619154882        4.2991918184548883             1030         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1031         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  839.67  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  839.67  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =    4.2993376619154882        4.2991918184548883             1032         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  754.88  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  754.88  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =    1.1344651085670270        1.1343192651064271             1033         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  809.95  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  809.95  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =    2.8626030070309643        2.8624571635703644             1034         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  776.32  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  776.32  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =    1.6471616047596704        1.6470157612990706             1035         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  782.13  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  782.13  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =    1.8228897587114634        1.8227439152508635             1036         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  781.61  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  781.61  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =    1.8065747411991091        1.8064288977385092             1037         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  781.66  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  781.66  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =    1.8081407216921925        1.8079948782315927             1038         132          64          42          25           1
 Error in theta0          47          95   781.65887900362179        60.750685357835657     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1039         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  525.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  525.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =   0.80821689353159298       0.80807105007099311             1040         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  527.18
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  527.18  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =   0.81400606577617818       0.81386022231557831             1041         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  531.34
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  531.34  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =   0.85256621601225946       0.85242037255165959             1042         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  542.15
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  542.15  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =    1.1065217639250027        1.1063759204644028             1043         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  570.28
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  570.28  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =    2.7207771415617090        2.7206312981011092             1044         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1045         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  570.28
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  570.28  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =    2.7207771415617090        2.7206312981011092             1046         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  548.46
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  548.46  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =    1.3526768979872135        1.3525310545266136             1047         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  555.71
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  555.71  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =    1.7207127979271346        1.7205669544665347             1048         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  557.26
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  557.26  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =    1.8112129288196637        1.8110670853590638             1049         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  557.19
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  557.19  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =    1.8070996994770663        1.8069538560164664             1050         132          64          42          25           1
 Error in theta0          50          96   557.19383300083939        32.615023000839443     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1051         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  754.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  754.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =   0.80725074613465875       0.80710490267405888             1052         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  756.10  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  756.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =   0.80791722710002190       0.80777138363942202             1053         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  760.26  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  760.26  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =   0.81297758133351583       0.81283173787291596             1054         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  771.07  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  771.07  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =   0.85151051204608796       0.85136466858548809             1055         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  799.19  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  799.19  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =    1.1501144322913126        1.1499685888307127             1056         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  872.31  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  872.31  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =    3.6692603109021289        3.6691144674415290             1057         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1058         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  872.31  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  872.31  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =    3.6692603109021289        3.6691144674415290             1059         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  795.01  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  795.01  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =    1.0839515202879817        1.0838056768273818             1060         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  833.66  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  833.66  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =    2.0033017198507506        2.0031558763901507             1061         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  825.41  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  825.41  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =    1.7498093066914064        1.7496634632308066             1062         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  827.28  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  827.28  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =    1.8043209559778020        1.8041751125172021             1063         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  827.38  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  827.38  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =    1.8071864929934387        1.8070406495328388             1064         132          64          42          25           1
 Error in theta0          51          97   827.37771028668408        73.881300286684080     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1065         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  832.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  832.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F
 func =   0.80945306465389044       0.80930722119329057             1066         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  833.74  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  833.74  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F
 func =   0.82311395866631998       0.82296811520572011             1067         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  837.90  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  837.90  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F
 func =   0.91993343063493394       0.91978758717433406             1068         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  848.72  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  848.72  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F
 func =    2.1480746656350207        2.1479288221744208             1069         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F
 func =   0.80718467309404540       0.80703882963344553             1070         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  848.72  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  848.72  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F
 func =    2.1480746656350207        2.1479288221744208             1071         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  844.25  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  844.25  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F
 func =    1.4318549816440616        1.4317091381834617             1072         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  846.59  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  846.59  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F
 func =    1.7706998873885749        1.7705540439279750             1073         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  846.80  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  846.80  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F
 func =    1.8043005065449349        1.8041546630843350             1074         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  846.85  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  846.85  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F
 func =    1.8125651007896832        1.8124192573290834             1075         132          64          42          25           1
 Error in theta0          53          98   846.84710891737950        15.654897977340640     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F F
 func =   0.80718467309404540       0.80703882963344553             1076         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  735.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  735.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =   0.80754837381713107       0.80740253035653120             1077         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  736.68  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  736.68  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =   0.80968853665531015       0.80954269319471028             1078         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  740.84  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  740.84  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =   0.82413774689455788       0.82399190343395801             1079         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  751.65  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  751.65  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =   0.92029637933731978       0.92015053587671991             1080         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  779.77  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  779.77  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =    1.5419095095657624        1.5417636661051626             1081         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  852.89  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  852.89  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =    5.2949613122097334        5.2948154687491336             1082         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =   0.80718467309404540       0.80703882963344553             1083         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  852.89  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  852.89  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =    5.2949613122097334        5.2948154687491336             1084         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  760.55  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  760.55  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =    1.0606489707786848        1.0605031273180849             1085         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  806.72  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  806.72  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =    2.5945520138041251        2.5944061703435253             1086         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  783.02  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  783.02  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =    1.6461619692648237        1.6460161258042239             1087         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  788.15  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  788.15  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =    1.8238275119956762        1.8236816685350763             1088         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  787.67  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  787.67  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =    1.8065180664218121        1.8063722229612122             1089         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  787.72  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  787.72  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =    1.8083126686010811        1.8081668251404812             1090         132          64          42          25           1
 Error in theta0          54          99   787.72021573004622        53.594942513604636     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F F
 func =   0.80718467309404540       0.80703882963344553             1091         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  684.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  684.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F
 func =   0.80758382705887144       0.80743798359827157             1092         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  685.92  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  685.92  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F
 func =   0.81034264556747593       0.81019680210687606             1093         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  690.08  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  690.08  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F
 func =   0.86679929389820953       0.86665345043760966             1094         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  700.89  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  700.89  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F
 func =    1.8251658301697113        1.8250199867091115             1095         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1096         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  700.89  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  700.89  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F
 func =    1.8251658301697113        1.8250199867091115             1097         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  700.58  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  700.58  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F
 func =    1.7706448385601465        1.7704989950995467             1098         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  700.79  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  700.79  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F
 func =    1.8069893709901621        1.8068435275295622             1099         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  700.84  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  700.84  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F
 func =    1.8158417608184465        1.8156959173578466             1100         132          64          42          25           1
 Error in theta0          55         100   700.84188287714460        17.473611827982918     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1101         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  534.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  534.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F
 func =   0.80766522470132629       0.80751938124072642             1102         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  535.78  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  535.78  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F
 func =   0.81077047177948258       0.81062462831888271             1103         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  539.94  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  539.94  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F
 func =   0.83212202546071501       0.83197618200011514             1104         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  550.76  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  550.76  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F
 func =   0.97450644948663978       0.97436060602603991             1105         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  578.88  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  578.88  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F
 func =    1.8848028919963700        1.8846570485357701             1106         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1107         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  578.88  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  578.88  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F
 func =    1.8848028919963700        1.8846570485357701             1108         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  575.59  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  575.59  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F
 func =    1.7406709199099795        1.7405250764493796             1109         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  577.10  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  577.10  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F
 func =    1.8060088732095225        1.8058630297489227             1110         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  577.15  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  577.15  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F
 func =    1.8081941222710896        1.8080482788104897             1111         132          64          42          25           1
 Error in theta0          56         101   577.15464653757738        43.975066537577398     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1112         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  859.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  859.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =   0.80771614310147377       0.80757029964087390             1113         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  860.98  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  860.98  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =   0.81084716584731742       0.81070132238671755             1114         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  865.14  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  865.14  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =   0.83293663591893974       0.83279079245833987             1115         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  875.96  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  875.96  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =    1.7573185230561210        1.7571726795955211             1116         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  904.08  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  904.08  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =    24.221234636291943        24.221088792831342             1117         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1118         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  904.08  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  904.08  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =    24.221234636291943        24.221088792831342             1119         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  860.33  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  860.33  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =   0.80924116320740580       0.80909531974680593             1120         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  882.21  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  882.21  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =    3.7529017842705512        3.7527559408099513             1121         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  867.75  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  867.75  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =   0.87947079183973287       0.87932494837913300             1122         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  874.98  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  874.98  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =    1.5584134804072816        1.5582676369466817             1123         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  877.04  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  877.04  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =    2.0086278253777485        2.0084819819171487             1124         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  876.12  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  876.12  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =    1.7918063712614369        1.7916605278008371             1125         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  876.18  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  876.18  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =    1.8063615189260136        1.8062156754654137             1126         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  876.23  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  876.23  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =    1.8175883788536840        1.8174425353930841             1127         132          64          42          25           1
 Error in theta0          57         102   876.23101084961115        17.798369780963899     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1128         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  796.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  796.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =   0.80738675940049287       0.80724091593989300             1129         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  797.89  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  797.89  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =   0.80843646901170241       0.80829062555110254             1130         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  802.05  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  802.05  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =   0.81531032726207697       0.81516448380147710             1131         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  812.87  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  812.87  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =   0.86056187171223819       0.86041602825163832             1132         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  840.99  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  840.99  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =    1.1526416467953815        1.1524958033347816             1133         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  914.11  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  914.11  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =    2.9260992734837679        2.9259534300231680             1134         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1135         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  914.11  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  914.11  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =    2.9260992734837679        2.9259534300231680             1136         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  851.37  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  851.37  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =    1.3198390632399928        1.3196932197793929             1137         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  888.50  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  888.50  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =    2.1549179786700661        2.1547721352094662             1138         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  873.04  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  873.04  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =    1.7641672308752780        1.7640213874146782             1139         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  874.74  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  874.74  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =    1.8042729752192459        1.8041271317586460             1140         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  874.86  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  874.86  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =    1.8071888162448688        1.8070429727842690             1141         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  874.81  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  874.81  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =    1.8059986326702362        1.8058527892096363             1142         132          64          42          25           1
 Error in theta0          58         103   874.81083337670782        79.567558151506219     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1143         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  851.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  851.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =   0.80739538507337916       0.80724954161277929             1144         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  852.93  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  852.93  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =   0.80858563034463071       0.80843978688403084             1145         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  857.09  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  857.09  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =   0.81655037773607586       0.81640453427547599             1146         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  867.90  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  867.90  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =   0.86946860977367890       0.86932276631307903             1147         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  896.03  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  896.03  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =    1.5128973043848000        1.5127514609242001             1148         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  969.14  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  969.14  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =    13.578028907704555        13.577883064243956             1149         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =   0.80718467309404551       0.80703882963344564             1150         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  969.14  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  969.14  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =    13.578028907704555        13.577883064243956             1151         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  859.63  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  859.63  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =   0.82484777168150003       0.82470192822090016             1152         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  914.39  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  914.39  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =    2.8430862245086370        2.8429403810480371             1153         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  886.28  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  886.28  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =    1.1537987857578880        1.1536529422972881             1154         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  900.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  900.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =    1.7441173353854418        1.7439714919248419             1155         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  901.57  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  901.57  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =    1.8189735235664866        1.8188276801058867             1156         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  901.37  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  901.37  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =    1.8069272987515526        1.8067814552909527             1157         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  901.42  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  901.42  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =    1.8100213273792103        1.8098754839186104             1158         132          64          42          25           1
 Error in theta0          59         104   901.42329804684130        51.044964983398351     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F F F F F
 func =   0.80718467309404551       0.80703882963344564             1159         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  286.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  286.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F
 func =   0.91881381789943983       0.91866797443883996             1160         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  288.48  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  288.48  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F
 func =    1.5509297162273397        1.5507838727667398             1161         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  292.64  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  292.64  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F
 func =    6.9708849936233577        6.9707391501627578             1162         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F
 func =   0.80718467309413122       0.80703882963353135             1163         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  292.64  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  292.64  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F
 func =    6.9708849936233577        6.9707391501627578             1164         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  286.98  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  286.98  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F
 func =   0.94141593851219441       0.94127009505159454             1165         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  289.81  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  289.81  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F
 func =    2.6565544433171455        2.6564085998565456             1166         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  288.41  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  288.41  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F
 func =    1.5065739554232402        1.5064281119626404             1167         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  288.77  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  288.77  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F
 func =    1.7443990085988506        1.7442531651382507             1168         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  288.86  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  288.86  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F
 func =    1.8096912641305782        1.8095454206699784             1169         132          64          42          25           1
 Error in theta0          63         105   288.86301840541705        2.9827684054170582     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T F
 func =   0.80718467309413122       0.80703882963353135             1170         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  346.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  346.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T
 func =   0.86305554105583826       0.86290969759523839             1171         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  348.35
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  348.35
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T
 func =    1.1806527303037582        1.1805068868431583             1172         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  352.51
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  352.51
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T
 func =    3.5335474882987756        3.5334016448381758             1173         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T
 func =   0.80718467309406705       0.80703882963346718             1174         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  352.51
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  352.51
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T
 func =    3.5335474882987756        3.5334016448381758             1175         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  348.23
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  348.23
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T
 func =    1.1459903336062021        1.1458444901456022             1176         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  350.37
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  350.37
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T
 func =    2.0390700570592530        2.0389242135986532             1177         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  349.81
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  349.81
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T
 func =    1.7487246358990445        1.7485787924384446             1178         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  349.92
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  349.92
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T
 func =    1.8037375347454154        1.8035916912848156             1179         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  349.97
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  349.97
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F T
 func =    1.8288932952130033        1.8287474517524034             1180         132          64          42          25           1
 Error in theta0          64         106   349.97470749355915        4.1759272422584548     
           5  -2192.5000267212472       -2192500.0267212470        0.0000000000000000     
           6  -1564.8457569288873       -1564845.7569288872        0.0000000000000000     
          15  -3230.9296672986825       -3230929.6672986825        0.0000000000000000     
          19  -3048.4199699285718       -3048419.9699285720        0.0000000000000000     
          25  -1669.3931571437745       -1669393.1571437744        0.0000000000000000     
          26  -846.06781862843911       -846067.81862843921        0.0000000000000000     
          32  -916.75286092436670       -916752.86092436663        0.0000000000000000     
          48  -2442.1699703339555       -2442169.9703339553        0.0000000000000000     
          62  -45.384024418896274       -45384.024418896275        0.0000000000000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T
 func =   0.80718467309416220       0.80703882963356233             1181         132          64          42          25           1
 Begin derivative calculation
 WARNING: Volume failed for logical reasons   149.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   117.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   101.00000000000000        2250.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   104.00000000000000        2375.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   113.00000000000000        2100.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   116.00000000000000        2250.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   124.00000000000000        2180.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   128.00000000000000        2420.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   141.00000000000000        2040.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   151.00000000000000        2090.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.00000000000000        800.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.00000000000000        800.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   127.00000000000000        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   127.00000000000000        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   122.90000000000001        2800.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   129.09999999999999        3750.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   139.40000000000001        3680.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   144.00000000000000        3960.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   136.09999999999999        1640.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   146.40000000000001        2560.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   145.09999999999999        3200.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   158.50000000000000        2690.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   169.09999999999999        4100.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   171.00000000000000        4380.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   149.30000000000001        4200.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   131.69999999999999        3680.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   119.00000000000000        2520.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   133.19999999999999        2170.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   135.80000000000001        2750.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   102.20000000000000        1870.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   101.09999999999999        1930.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.40000000000001        1600.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   96.900000000000006        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   97.900000000000006        2480.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   105.20000000000000        2180.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.20000000000000        2560.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.20000000000000        1820.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.59999999999999        1670.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   99.900000000000006        2900.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   103.09999999999999        2840.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   157.09999999999999        2570.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   169.69999999999999        2290.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   145.30000000000001        3110.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   142.50000000000000        3540.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   156.30000000000001        2980.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   186.00000000000000        2590.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   186.00000000000000        2590.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   158.40000000000001        3170.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   158.40000000000001        3170.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   164.00000000000000        2990.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   164.00000000000000        2990.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   148.90000000000001        3510.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   148.90000000000001        3510.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   161.90000000000001        2950.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   161.90000000000001        2950.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   137.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   175.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        2140.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        2140.0000000000000               61  -2.0000000000000000        53.868398470273199     
 WARNING: Volume failed for logical reasons   121.50000000000000        4000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        4000.0000000000000               61  -2.0000000000000000        53.868398470273199     
 WARNING: Volume failed for logical reasons   95.000000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                3  -2.0000000000000000        159.04800000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               11  -2.0000000000000000        62.676000000000002     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               13  -2.0000000000000000        59.140000000000001     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   200.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   200.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   227.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   227.00000000000000        2000.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000                3  -2.0000000000000000        159.04800000000000     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000               26  -2.0000000000000000        30.286999999999999     
 End derivative calculation
    -0.43306E-01     0.57254E-02    -0.67540E-01     0.11335E+00    -0.87385E-02    -0.22303E-02     0.12427E+00     0.87726E-02     0.19665E+00     0.91533E-03    -0.31996E-01    -0.13958E-01    -0.20525E-01    -0.83564E-01    -0.11176E-02     0.27917E-01    -0.44998E-01    -0.11253E-01     0.92521E-02     0.10309E-02     0.00000E+00     0.46303E-01     0.43922E+00     0.85728E-01     0.18751E-01     0.16318E+00    -0.72309E-01    -0.35309E-01    -0.33822E-01    -0.30836E-01    -0.17067E-01    -0.99892E-02     0.56619E-03    -0.57078E-02    -0.84491E-02    -0.60693E+00     0.71305E-01     0.42199E-01     0.71729E-01    -0.26705E+00     0.00000E+00     0.50463E-01    -0.17661E+00    -0.94169E-01     0.20195E-26     0.79214E-02    -0.79214E-02    -0.35550E-01     0.40528E-01     0.91286E-01     0.12622E-25    -0.89321E-01     0.33805E-01    -0.10231E+00    -0.23357E-01    -0.24289E+00     0.11901E-01    -0.48984E-02     0.54517E-02     0.28871E-01    -0.30292E-26     0.36275E+00    -0.48720E-01    -0.24630E+00     0.12149E-02    -0.17272E-01     0.11980E+00     0.72034E-01     0.21739E-02     0.64241E-03     0.51803E-01    -0.46353E-02    -0.38985E-01     0.15339E+00     0.87783E-01    -0.63814E-01     0.00000E+00     0.10724E-01     0.66387E-01     0.11858E-01    -0.21495E-01     0.12889E-01    -0.36706E-02    -0.27090E-01    -0.14207E-01     0.38293E-01     0.11594E-01    -0.32901E-01    -0.23899E-01    -0.12055E-01    -0.13156E+00    -0.21599E-01     0.50487E-27     0.11508E-02    -0.10880E-02     0.32332E-01     0.37471E-26     0.68339E-02    -0.12345E-01
    -0.89632E-02    -0.83989E-01    -0.18646E-01     0.26843E-01     0.49303E-02     0.18703E-01    -0.34634E-01     0.40826E-01    -0.20661E+00     0.12330E-03     0.84577E-01     0.29555E-01     0.00000E+00     0.26369E-01    -0.36711E-01    -0.97636E-01    -0.14417E-01     0.16885E-01    -0.12985E+00    -0.63435E-02     0.18949E-01     0.25594E-01     0.28355E-01     0.81287E-01    -0.89015E-01     0.38968E-01     0.94708E-02    -0.85688E-01     0.67441E-01     0.15963E-04    -0.85492E-02     0.15595E-02     0.13997E-01
Error in w before zbracsp   sp   hc     107    -0.53321     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1182         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
    0.47    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80734862843571253       0.80720278497511266             1183         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
    2.07    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80812317468569306       0.80797733122509319             1184         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
    6.23    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81308736896617995       0.81294152550558008             1185         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   17.04    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.84593880290120038       0.84579295944060051             1186         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   45.16    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0661775483149745        1.0660317048543746             1187         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
  118.28    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.5502154192174036        2.5500695757568037             1188         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1189         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
  118.28    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.5502154192174036        2.5500695757568037             1190         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   67.63    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3820843365311410        1.3819384930705412             1191         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   86.06    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7340685244389054        1.7339226809783055             1192         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   89.55    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8100414106426119        1.8098955671820121             1193         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   89.42    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8071305326790572        1.8069846892184573             1194         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   89.47    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8082405684068787        1.8080947249462789             1195         132          64          42          25           1
Error in wsp   sp   hc     107    89.46835    89.95155
Error in w before zbracol   fo   fa     108     4.69466     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1196         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    5.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81598877718341145       0.81584293372281158             1197         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    7.29   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.86755992277110150       0.86741407931050163             1198         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53   11.45   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2175560812644510        1.2174102378038512             1199         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53   22.27   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.5871056967137291        3.5869598532531293             1200         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1201         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53   22.27   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.5871056967137291        3.5869598532531293             1202         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53   11.02   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1660707285806944        1.1659248851200945             1203         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53   19.32   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.7317529867529067        2.7316071432923068             1204         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53   14.42   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6569541853623495        1.6568083419017496             1205         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53   15.31   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8208310885791354        1.8206852451185356             1206         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53   15.24   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8066335120795896        1.8064876686189897             1207         132          64          42          25           1
Error in wol   fo   fa     108    15.23788    10.54322
Error in w before zbracwa   mgwa fewa   109    13.20238     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1208         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   14.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81380961549776432       0.81366377203716445             1209         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   15.80    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.85196877162142715       0.85182292816082728             1210         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   19.96    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1099238510393097        1.1097780075787098             1211         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   30.78    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.8536980860415047        2.8535522425809048             1212         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404551       0.80703882963344564             1213         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   30.78    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.8536980860415047        2.8535522425809048             1214         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   21.79    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2958211520410989        1.2956753085804991             1215         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   27.83    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2243318164531067        2.2241859729925069             1216         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   25.12    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7474342219126731        1.7472883784520732             1217         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   25.46    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8018429555696072        1.8016971121090073             1218         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   25.51    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8099771687290218        1.8098313252684219             1219         132          64          42          25           1
Error in wwa   mgwa fewa   109    25.50558    12.30320
Error in w before zbracri   mgri feri   110     7.60074     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404540       0.80703882963344553             1220         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    8.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82127726522300215       0.82113142176240228             1221         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20   10.20   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.90209875789025407       0.90195291442965420             1222         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20   14.36   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4478891147442652        1.4477432712836653             1223         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20   25.18   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.1359683413782546        5.1358224979176548             1224         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1225         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20   25.18   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.1359683413782546        5.1358224979176548             1226         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20   11.66   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0384605222327077        1.0383146787721078             1227         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20   18.42   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4474853321047627        2.4473394886441628             1228         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20   15.35   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6485809783910714        1.6484351349304716             1229         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20   15.96   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7861645915471360        1.7860187480865362             1230         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20   16.05   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8074006804724050        1.8072548370118051             1231         132          64          42          25           1
Error in wri   mgri feri   110    16.04776     8.44702
Error in w before zbracopx  en   odi    111    32.21744     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1232         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   33.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.87860716279259932       0.87846131933199945             1233         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   34.82   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2898777639957735        1.2897319205351736             1234         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   38.98   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.0698703618102989        4.0697245183496991             1235         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1236         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   38.98   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.0698703618102989        4.0697245183496991             1237         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   34.29   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1137231053222483        1.1135772618616484             1238         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   36.63   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1995253422982159        2.1993794988376161             1239         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   35.79   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7166591803821087        1.7165133369215089             1240         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   35.95   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7993829144624764        1.7992370710018766             1241         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   36.00   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8261765407914821        1.8260306973308822             1242         132          64          42          25           1
Error in wopx  en   odi    111    35.99520     3.72776
Error in w before zbracopx  fs   odi    112    32.21744     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1243         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   33.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1244         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   34.82   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1245         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   38.98   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1246         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   49.79   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1247         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   77.92   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1248         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22  151.03   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1249         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22  341.13   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1250         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22  835.40   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1251         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22 2120.49   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1252         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22 5461.72   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1253         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.2214148.93   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1254         132          64          42          25           1
Error in wopx  fs   odi    112 14148.92830     0.00000
Error in w before zbracopx  mgts odi    113    48.37041     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1255         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   49.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80756133607005065       0.80741549260945078             1256         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   50.97   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80962122094339906       0.80947537748279919             1257         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   55.13   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82337053267582261       0.82322468921522274             1258         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   65.95   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.91585955499356986       0.91571371153296999             1259         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   94.07   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5398989079025271        1.5397530644419273             1260         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22  167.18   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.7553202423990788        5.7551743989384789             1261         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1262         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22  167.18   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.7553202423990788        5.7551743989384789             1263         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   72.38   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0097861969673498        1.0096403535067500             1264         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22  119.78   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.5954938980569104        2.5953480545963106             1265         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   96.22   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6104263075220580        1.6102804640614581             1266         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22  100.93   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7760924219164111        1.7759465784558113             1267         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22  101.78   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8076591006766687        1.8075132572160688             1268         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22  101.73   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8057877972032477        1.8056419537426478             1269         132          64          42          25           1
Error in wopx  mgts odi    113   101.72525    53.40484
Error in w before zbraccpx  cen  cats   114    60.13281     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1270         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   61.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80766338862396880       0.80751754516336893             1271         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   62.73   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81057350869543743       0.81042766523483756             1272         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   66.89   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.83049027043860235       0.83034442697800248             1273         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   77.71   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.96576289151560990       0.96561704805501003             1274         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37  105.83   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8818576307644928        1.8817117873038929             1275         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1276         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37  105.83   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8818576307644928        1.8817117873038929             1277         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37  102.66   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7375918495079983        1.7374460060473984             1278         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37  104.19   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8058871085866639        1.8057412651260640             1279         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37  104.24   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8081573457265072        1.8080115022659073             1280         132          64          42          25           1
Error in wcpx  cen  cats   114   104.23687    44.10406
Error in w before zbraccpx  cen  jd     115    46.04607     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1281         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   47.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80901355693174160       0.80886771347114172             1282         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   48.65   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81995409492457194       0.81980825146397207             1283         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   52.81   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.89456200009971087       0.89441615663911100             1284         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   63.62   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4031982178320521        1.4030523743714522             1285         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   91.74   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.8673824298044464        5.8672365863438465             1286         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1287         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   91.74   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.8673824298044464        5.8672365863438465             1288         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   55.08   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.96342073698236830       0.96327489352176843             1289         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   73.41   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3778919667257088        2.3777461232651089             1290         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   66.01   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5861173279503289        1.5859714844897290             1291         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   68.08   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7722053597137533        1.7720595162531534             1292         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   68.44   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8079894455868206        1.8078436021262208             1293         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   68.39   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8030479466783560        1.8029021032177561             1294         132          64          42          25           1
Error in wcpx  cen  jd     115    68.39426    22.39819
Error in w before zbracil   mgil co     116    59.34869     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1295         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   60.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80815718849997942       0.80801134503937955             1296         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   61.95   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81381885134758847       0.81367300788698860             1297         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   66.11   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.85218765128292262       0.85204180782232275             1298         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   76.92   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1118102354023007        1.1116643919417009             1299         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05  105.05   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.8675076149216783        2.8673617714610784             1300         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1301         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05  105.05   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.8675076149216783        2.8673617714610784             1302         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   81.53   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2923809149338701        1.2922350714732702             1303         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   97.37   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2333905706299069        2.2332447271693070             1304         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   90.20   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7458126492581216        1.7456668057975218             1305         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   91.10   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8015941811234555        1.8014483376628556             1306         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   91.19   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8071998048758930        1.8070539614152932             1307         132          64          42          25           1
Error in wil   mgil co     116    91.18768    31.83899
Error in w before zbracgt   py   gr     117    21.11758     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1308         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   22.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80799366094968239       0.80784781748908252             1309         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   23.72   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81258319077460650       0.81243734731400663             1310         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   27.88   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.84349602844025362       0.84335018497965375             1311         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   38.69   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0521746151382947        1.0520287716776948             1312         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   66.82   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4620821677206113        2.4619363242600114             1313         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1314         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   66.82   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4620821677206113        2.4619363242600114             1315         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   48.73   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4116362157634923        1.4114903723028924             1316         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   55.54   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7463713655676387        1.7462255221070389             1317         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   56.67   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8091384968965569        1.8089926534359571             1318         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   56.62   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8063231761089695        1.8061773326483697             1319         132          64          42          25           1
Error in wgt   py   gr     117    56.62275    35.50517
Error in w before zbracgt   py   mgmj   118    22.67242     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1320         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   23.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80790191975755088       0.80775607629695101             1321         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   25.27   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81257345119891522       0.81242760773831535             1322         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   29.43   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.84501730924766039       0.84487146578706052             1323         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   40.25   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0665849865074801        1.0664391430468803             1324         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   68.37   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.5702252136596391        2.5700793701990392             1325         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1326         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   68.37   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.5702252136596391        2.5700793701990392             1327         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   48.59   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3729299047708747        1.3727840613102749             1328         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   55.77   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7305929472645512        1.7304471038039513             1329         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   57.16   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8103317124479110        1.8101858689873112             1330         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   57.11   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8071220900880727        1.8069762466274728             1331         132          64          42          25           1
Error in wgt   py   mgmj   118    57.10645    34.43403
Error in w before zbracgt   gr   mgmj   119    60.71820     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1332         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   61.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80731622425877403       0.80717038079817416             1333         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   63.32   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80810034806581632       0.80795450460521645             1334         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   67.48   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81344324763028808       0.81329740416968821             1335         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   78.29   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.84967102793183968       0.84952518447123981             1336         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67  106.42   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0948562515810600        1.0947104081204602             1337         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67  179.53   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.7530504970841458        2.7529046536235460             1338         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1339         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67  179.53   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.7530504970841458        2.7529046536235460             1340         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67  121.78   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3209064427904336        1.3207605993298337             1341         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67  141.39   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7040379787862971        1.7038921353256973             1342         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67  146.15   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8130399495749032        1.8128941061143033             1343         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67  145.89   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8070258340805974        1.8068799906199975             1344         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67  145.94   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8082004914110157        1.8080546479504158             1345         132          64          42          25           1
Error in wgt   gr   mgmj   119   145.94260    85.17439
Error in w before zbracgt   mgmj namj   120    70.87914     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1346         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   71.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80737847342108615       0.80723262996048628             1347         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   73.48  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80841593597590278       0.80827009251530291             1348         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   77.64  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81530305920849300       0.81515721574789313             1349         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   88.46  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.86153209131843500       0.86138624785783513             1350         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72  116.58  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1731877574350167        1.1730419139744168             1351         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72  189.69  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.2777633476383934        3.2776175041777935             1352         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1353         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72  189.69  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.2777633476383934        3.2776175041777935             1354         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72  118.97  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2124905711581502        1.2123447276975503             1355         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72  169.22  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.4998594548333726        2.4997136113727727             1356         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72  142.18  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6974698109905659        1.6973239675299661             1357         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72  146.71  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8141710332558951        1.8140251897952953             1358         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72  146.44  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8069824791756530        1.8068366357150532             1359         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72  146.49  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8083052169934322        1.8081593735328323             1360         132          64          42          25           1
Error in wgt   mgmj namj   120   146.49233    75.56319
Error in w before zbracpv   mgpv fepv   121   -11.39617     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1361         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -10.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82015224197169811       0.82000639851109824             1362         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88   -8.80   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.89473897096101862       0.89459312750041875             1363         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88   -4.64   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3987749172077366        1.3986290737471367             1364         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88    6.18   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.8056150638032600        4.8054692203426601             1365         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1366         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88    6.18   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    4.8056150638032600        4.8054692203426601             1367         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88   -7.00   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.0573671779448972        1.0572213344842973             1368         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88   -0.41   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3694222296388570        2.3692763861782571             1369         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88   -3.23   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6695395414509731        1.6693936979903732             1370         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88   -2.68   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7908783762570237        1.7907325327964239             1371         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88   -2.61   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8073145249338269        1.8071686814732271             1372         132          64          42          25           1
Error in wpv   mgpv fepv   121    -2.60637     8.78980
Error in w before zbracpv   mgpv alpv   122    34.97987     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1373         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   35.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80953886466863978       0.80939302120803991             1374         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   37.58   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82660567500851245       0.82645983154791258             1375         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   41.74   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.95021204856992114       0.95006620510932127             1376         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   52.56   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072014565905232        1.8070556131299234             1377         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1378         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   52.56   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072014565905232        1.8070556131299234             1379         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   52.51   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8014596906961007        1.8013138472355008             1380         132          64          42          25           1
Error in wpv   mgpv alpv   122    52.50587    17.57600
Error in w before zbracpv   mgpv hepv   123    25.00375     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1381         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   26.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80867352785635194       0.80852768439575207             1382         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   27.60    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81691117552680959       0.81676533206620971             1383         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   31.76    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.87205662528031247       0.87191078181971260             1384         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   42.58    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2434331436856654        1.2432873002250655             1385         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   70.70    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.7502809593254716        3.7501351158648717             1386         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1387         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   70.70    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    3.7502809593254716        3.7501351158648717             1388         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   40.53    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1477961892694999        1.1476503458089000             1389         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   62.97    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.8395745152605611        2.8394286717999613             1390         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   49.28    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6385598471095888        1.6384140036489889             1391         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   51.86    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8247146633071698        1.8245688198465699             1392         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   51.62    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8063832481672306        1.8062374047066307             1393         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   51.67    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8101371416247454        1.8099912981641455             1394         132          64          42          25           1
Error in wpv   mgpv hepv   123    51.66839    26.61464
Error in w before zbracpv   mgpv hlpv   124     7.40310     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1395         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    8.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80808331233929309       0.80793746887869322             1396         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00   10.00   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81362977722732555       0.81348393376672568             1397         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00   14.16   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.85171636492526281       0.85157052146466294             1398         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00   24.98   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1107221618540857        1.1105763183934858             1399         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00   53.10   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.8656065755996201        2.8654607321390202             1400         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1401         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00   53.10   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.8656065755996201        2.8654607321390202             1402         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00   29.60   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2919776037715847        1.2918317603109848             1403         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00   45.47   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.2351525197060282        2.2350066762454284             1404         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00   38.27   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7455400093649869        1.7453941659043870             1405         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00   39.18   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8015492512255606        1.8014034077649608             1406         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00   39.27   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072000477787793        1.8070542043181794             1407         132          64          42          25           1
Error in wpv   mgpv hlpv   124    39.26825    31.86515
Error in w before zbracpv   mgpv flpv   125    20.12147     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1408         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   21.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80977875193528692       0.80963290847468705             1409         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   22.72  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82455854062120726       0.82441269716060739             1410         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   26.88  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.92421054474853281       0.92406470128793294             1411         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   37.70  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5971837450208275        1.5970379015602276             1412         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   65.82  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.1447293263224498        6.1445834828618500             1413         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1414         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   65.82  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.1447293263224498        6.1445834828618500             1415         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   28.68  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.99480785436831287       0.99466201090771300             1416         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   47.25  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.6888384087278343        2.6886925652672344             1417         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   37.59  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5873204399056207        1.5871745964450208             1418         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   40.23  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8413398559251271        1.8411940124645272             1419         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   39.88  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8051048884245542        1.8049590449639543             1420         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   39.93  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8101609481560772        1.8100151046954773             1421         132          64          42          25           1
Error in wpv   mgpv flpv   125    39.92640    19.75493
Error in w before zbracpv   fepv flpv   126   -27.05427     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1422         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -26.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80780722833391461       0.80766138487331474             1423         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -24.45  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81135374808281535       0.81120790462221548             1424         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -20.29  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.83526518440832676       0.83511934094772688             1425         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12   -9.48  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.99674259912833507       0.99659675566773520             1426         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12   18.64  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0879038083572574        2.0877579648966575             1427         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1428         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12   18.64  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0879038083572574        2.0877579648966575             1429         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12    8.63  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5880700645199985        1.5879242210593987             1430         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12   13.02  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7920408489650490        1.7918950055044491             1431         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12   13.33  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8073008822251855        1.8071550387645856             1432         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12   13.28  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8048260969371048        1.8046802534765050             1433         132          64          42          25           1
Error in wpv   fepv flpv   126    13.27719    40.38146
Error in w before zbracppv  mppv fppv   127   -10.95549     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1434         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05   -9.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81037881248366628       0.81023296902306641             1435         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05   -8.36  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82913351899554411       0.82898767553494423             1436         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05   -4.20  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.95648567852014788       0.95633983505954800             1437         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05    6.62  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8188691797746417        1.8187233363140418             1438         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1439         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05    6.62  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8188691797746417        1.8187233363140418             1440         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05    6.42  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7956179238809238        1.7954720804203239             1441         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05    6.52  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8071508860211938        1.8070050425605939             1442         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05    6.57  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8128860889263214        1.8127402454657215             1443         132          64          42          25           1
Error in wppv  mppv fppv   127     6.56850    17.47399
Error in w before zbracmw   pe   wuls   128   -87.00327     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1444         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -86.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81120335163853508       0.81105750817793520             1445         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -84.40  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.83407038650867593       0.83392454304807606             1446         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -80.24  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.98820265858817524       0.98805681512757537             1447         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -69.43  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0289697321020030        2.0288238886414032             1448         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1449         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -69.43  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.0289697321020030        2.0288238886414032             1450         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -72.62  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6258353532055392        1.6256895097449393             1451         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -71.18  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7972306931379296        1.7970848496773297             1452         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -71.10  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072346484185640        1.8070888049579641             1453         132          64          42          25           1
Error in wmw   pe   wuls   128   -71.10275    15.90052
Error in w before zbracmw   wu   wuls   129   -60.21906     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1454         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -59.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80747268905734726       0.80732684559674739             1455         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -57.62   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80913159463433848       0.80898575117373861             1456         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -53.46   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82034569028870841       0.82019984682810854             1457         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -42.64   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.89615270204803299       0.89600685858743312             1458         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -14.52   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.4086073926776137        1.4084615492170138             1459         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00   58.59   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.7613325438012533        5.7611867003406534             1460         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1461         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00   58.59   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    5.7613325438012533        5.7611867003406534             1462         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -36.24   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.97283377308838725       0.97268792962778738             1463         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00   11.18   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3096064203851490        2.3094605769245491             1464         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00   -6.64   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.6338956264477653        1.6337497829871654             1465         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00   -2.07   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7816355029436362        1.7814896594830363             1466         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00   -1.32   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8075420584672353        1.8073962150066354             1467         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00   -1.37   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8058045037634183        1.8056586603028184             1468         132          64          42          25           1
Error in wmw   wu   wuls   129    -1.36944    58.89962
Error in w before zbraccf   mgcf nacf   130    60.82508     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1469         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   61.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80744010598092408       0.80729426252032421             1470         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   63.43  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80894696404565691       0.80880112058505704             1471         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   67.59  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81919022811832820       0.81904438465772833             1472         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   78.40  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.88858264327840264       0.88843679981780277             1473         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22  106.52  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.3826310639071513        1.3824852204465514             1474         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22  179.64  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.2236008520705450        6.2234550086099452             1475         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1476         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22  179.64  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    6.2236008520705450        6.2234550086099452             1477         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   82.76  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.93402058728588333       0.93387474382528346             1478         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22  131.20  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.3746762129494083        2.3745303694888085             1479         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22  112.12  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.5574732392880839        1.5573273958274840             1480         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22  117.95  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7709082726104841        1.7707624291498842             1481         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22  118.88  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8079625084648994        1.8078166650042995             1482         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22  118.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8059525693930036        1.8058067259324038             1483         132          64          42          25           1
Error in wcf   mgcf nacf   130   118.83109    58.05602
Error in w before zbracnal  mnal nnal   131   -60.78147     0.00000
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1484         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -59.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80725204000190287       0.80710619654130300             1485         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -58.18
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80763358589844847       0.80748774243784860             1486         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -54.02
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81020245620453701       0.81005661274393714             1487         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -43.21
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.82754103178709104       0.82739518832649117             1488         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -15.08
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.1537899379110323        1.1536440944504325             1489         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83   58.03
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    13.436193017138631        13.436047173678032             1490         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.80718467309404518       0.80703882963344531             1491         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83   58.03
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    13.436193017138631        13.436047173678032             1492         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -51.37
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =   0.81302399483128762       0.81287815137068775             1493         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83    3.33
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    2.1939165207209106        2.1937706772603107             1494         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -11.99
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.2590113524436584        1.2588655089830585             1495         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83   -3.01
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7147091668617034        1.7145633234011035             1496         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83   -1.78
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.7967265732117135        1.7965807297511136             1497         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83   -1.63
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8072558502121423        1.8071100067515424             1498         132          64          42          25           1
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83   -1.68
    4.45
 F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F F
 func =    1.8037797483411706        1.8036339048805707             1499         132          64          42          25           1
Error in wnal  mnal nnal   131    -1.68309    59.14838
           5  -2192.5000267212472       -2192500.0267212470        0.0000000000000000     
           6  -1564.8457569288873       -1564845.7569288872        0.0000000000000000     
          15  -3230.9296672986825       -3230929.6672986825        0.0000000000000000     
          19  -3048.4199699285718       -3048419.9699285720        0.0000000000000000     
          25  -1669.3931571437745       -1669393.1571437744        0.0000000000000000     
          26  -846.06781862843911       -846067.81862843921        0.0000000000000000     
          32  -916.75286092436670       -916752.86092436663        0.0000000000000000     
          48  -2442.1699703339555       -2442169.9703339553        0.0000000000000000     
          62  -45.384024418896274       -45384.024418896275        0.0000000000000000     
    5    1 fo   -2192.50003 -2192.48343    -0.01659     2.00000    -0.00830
    6    2 fa   -1564.84576 -1564.84556    -0.00020     1.30000    -0.00015
   15    3 di   -3230.92967 -3230.92933    -0.00033     2.00000    -0.00017
   19    4 jd   -3048.41997 -3048.41982    -0.00015     4.00000    -0.00004
   25    5 co   -1669.39316 -1669.39317     0.00002     1.30000     0.00001
   26    6 hem   -846.06782  -846.06780    -0.00002     1.30000    -0.00002
   32    7 qtz   -916.75286  -916.77057     0.01771     2.10000     0.00843
   48    8 pe    -610.54249  -610.54322     0.00072     0.30000     0.00241
   62    9 fea    -45.38402   -45.38423     0.00020     1.00000     0.00020
 RMS in reference free energies =    1.4584346059986635E-004           9
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
   -4.01   -3.72   -8.68   -7.36   -2.06   -1.37   -2.03   -1.36   -2.02   -1.36   -2.91   -2.23   -3.00   -3.02   -3.03   -2.68   -2.91   -3.12   -2.86   -2.91   -2.22   -1.46   -1.41   -1.05   -1.58   -0.74   -5.94   -4.93   -6.28   -5.69   -5.30   -0.86   -0.86   -0.82   -0.79   -1.36   -1.00   -1.52   -0.72   -0.62   -0.85   -0.88   -1.31   -0.98   -1.34   -0.62   -0.41   -2.28   -0.97   -0.62
   -2.11   -0.99   -2.12   -1.77   -1.84   -0.96   -6.17   -5.48   -5.57   -2.45   -1.99    0.01    0.01    0.01
  720.00  856.37  794.21  845.20  647.35  875.14  662.84  682.68  783.94  744.55  806.64  822.90  698.72  798.79  932.60  781.36  844.74  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  692.39  941.50  794.16  722.94  688.06  720.86  524.58  753.50  831.14  734.08  683.32  533.18  858.38  795.29  850.33  285.88  345.75
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
    4.45
 T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T T
 func =   0.80718467309416198       0.80703882963356210             1500         132          64          42          25           1
 Begin derivative calculation
 WARNING: Volume failed for logical reasons   149.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   117.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   101.00000000000000        2250.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   104.00000000000000        2375.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   113.00000000000000        2100.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   116.00000000000000        2250.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   124.00000000000000        2180.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   128.00000000000000        2420.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   141.00000000000000        2040.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   151.00000000000000        2090.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.00000000000000        800.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.00000000000000        800.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   127.00000000000000        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   127.00000000000000        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   122.90000000000001        2800.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   129.09999999999999        3750.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   139.40000000000001        3680.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   144.00000000000000        3960.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   136.09999999999999        1640.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   146.40000000000001        2560.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   145.09999999999999        3200.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   158.50000000000000        2690.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   169.09999999999999        4100.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   171.00000000000000        4380.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   149.30000000000001        4200.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   131.69999999999999        3680.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   119.00000000000000        2520.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   133.19999999999999        2170.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   135.80000000000001        2750.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   102.20000000000000        1870.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   101.09999999999999        1930.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   106.40000000000001        1600.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   96.900000000000006        3000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   97.900000000000006        2480.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   105.20000000000000        2180.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.20000000000000        2560.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.20000000000000        1820.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   107.59999999999999        1670.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   99.900000000000006        2900.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   103.09999999999999        2840.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   157.09999999999999        2570.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   169.69999999999999        2290.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   145.30000000000001        3110.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   142.50000000000000        3540.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   156.30000000000001        2980.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   186.00000000000000        2590.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   186.00000000000000        2590.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   158.40000000000001        3170.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   158.40000000000001        3170.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   164.00000000000000        2990.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   164.00000000000000        2990.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   148.90000000000001        3510.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   148.90000000000001        3510.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   161.90000000000001        2950.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   161.90000000000001        2950.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   137.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   175.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        2140.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        2140.0000000000000               61  -2.0000000000000000        53.868398470273199     
 WARNING: Volume failed for logical reasons   121.50000000000000        4000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   121.50000000000000        4000.0000000000000               61  -2.0000000000000000        53.868398470273199     
 WARNING: Volume failed for logical reasons   95.000000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                3  -2.0000000000000000        159.04800000000000     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               11  -2.0000000000000000        62.676000000000002     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               13  -2.0000000000000000        59.140000000000001     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   572.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   533.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   568.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               12  -2.0000000000000000        65.941000000000003     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               14  -2.0000000000000000        68.054000000000002     
 WARNING: Volume failed for logical reasons   540.00000000000000        2000.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   200.00000000000000        300.00000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   200.00000000000000        300.00000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   227.00000000000000        2000.0000000000000                2  -2.0000000000000000        100.45200000000000     
 WARNING: Volume failed for logical reasons   227.00000000000000        2000.0000000000000               33  -2.0000000000000000        20.657000000000000     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000                3  -2.0000000000000000        159.04800000000000     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000                4  -2.0000000000000000        163.37200000000001     
 WARNING: Volume failed for logical reasons   9.6095000000000006        1073.0000000000000               26  -2.0000000000000000        30.286999999999999     
 End derivative calculation
    -0.43306E-01     0.57254E-02    -0.67540E-01     0.11335E+00    -0.87385E-02    -0.22303E-02     0.12427E+00     0.87726E-02     0.19665E+00     0.91533E-03    -0.31996E-01    -0.13958E-01    -0.20525E-01    -0.83564E-01    -0.11176E-02     0.27917E-01    -0.44998E-01    -0.11253E-01     0.92521E-02     0.10309E-02     0.00000E+00     0.46303E-01     0.43922E+00     0.85728E-01     0.18751E-01     0.16318E+00    -0.72309E-01    -0.35309E-01    -0.33822E-01    -0.30836E-01    -0.17067E-01    -0.99892E-02     0.56619E-03    -0.57078E-02    -0.84491E-02    -0.60693E+00     0.71305E-01     0.42199E-01     0.71729E-01    -0.26705E+00     0.00000E+00     0.50463E-01    -0.17661E+00    -0.94169E-01     0.20195E-26     0.79214E-02    -0.79214E-02    -0.35550E-01     0.40528E-01     0.91286E-01     0.12622E-25    -0.89321E-01     0.33805E-01    -0.10231E+00    -0.23357E-01    -0.24289E+00     0.11901E-01    -0.48984E-02     0.54517E-02     0.28871E-01    -0.30292E-26     0.36275E+00    -0.48720E-01    -0.24630E+00     0.12149E-02    -0.17272E-01     0.11980E+00     0.72034E-01     0.21739E-02     0.64241E-03     0.51803E-01    -0.46353E-02    -0.38985E-01     0.15339E+00     0.87783E-01    -0.63814E-01     0.00000E+00     0.10724E-01     0.66387E-01     0.11858E-01    -0.21495E-01     0.12889E-01    -0.36706E-02    -0.27090E-01    -0.14207E-01     0.38293E-01     0.11594E-01    -0.32901E-01    -0.23899E-01    -0.12055E-01    -0.13156E+00    -0.21599E-01     0.50487E-27     0.11508E-02    -0.10880E-02     0.32332E-01     0.37471E-26     0.68339E-02    -0.12345E-01
    -0.89632E-02    -0.83989E-01    -0.18646E-01     0.26843E-01     0.49303E-02     0.18703E-01    -0.34634E-01     0.40826E-01    -0.20661E+00     0.12330E-03     0.84577E-01     0.29555E-01     0.00000E+00     0.26369E-01    -0.36711E-01    -0.97636E-01    -0.14417E-01     0.16885E-01    -0.12985E+00    -0.63435E-02     0.18949E-01     0.25594E-01     0.28355E-01     0.81287E-01    -0.89015E-01     0.38968E-01     0.94708E-02    -0.85688E-01     0.67441E-01     0.15963E-04    -0.85492E-02     0.15595E-02     0.13997E-01
          64          42          25           1         132
 Number of F_0,theta_0, W changed:           62          41          24
an    10ab    11sp    11hc    11fo    10fa    10mgwa  11fewa  11mgri  11feri  11en    10fs    11mgts  11odi   11di    10he    10cen   11cats  10jd    10mgc2  11fec2  00capv  11mgil  11feil  11co    10hem   10py    10al    10gr    10mgmj  10namj  11qtz   10coes  11st    11apbo  11mgpv  11fepv  11alpv  11hepv  11hlpv  11fapv  00flpv  11mppv  11fppv  11appv  11hppv  11lppv  11pe    10wu    10wuls  11
anao  11mag   10mgcf  11fecf  11nacf  11hmag  11mnal  11fnal  11nnal  11ky    10neph  10fea   10feg   11fee   11
-4013.37-3720.15-8680.04-7356.19-2055.37-1371.70-2028.17-1358.36-2017.22-1359.23-2914.16-2228.33-3002.41-3015.73-3029.61-2676.99-2906.84-3119.45-2855.20-2905.48-2224.21-1459.91-1409.83-1047.53-1582.44 -744.04-5937.14-4933.03-6275.18-5693.29-5303.07 -860.12 -856.11 -817.49 -793.37-1362.44-1002.66-1517.73 -721.27 -617.63 -848.32 -879.53-1313.63 -982.04-1336.46 -622.38 -407.18-2278.11 -974.61 -621.97
-2114.84 -987.19-2122.87-1774.20-1835.43 -964.48-6167.39-5475.30-5567.13-2446.08-1994.47   11.42    7.15    7.23
  752.35  720.00  856.37  794.21  809.20  618.96  845.20  647.35  875.14  662.84  812.21  682.68  783.94  744.55  782.57  702.08  806.64  804.36  820.78  822.90  698.72  798.79  932.60  781.36  932.22  653.81  823.24  741.38  822.77  822.49  844.74  884.20  880.24 1092.17 1128.95  880.02  746.56  858.27  613.90  725.62  755.38  692.39  941.50  794.16  722.94  688.06  720.86  770.90  454.18  524.58
  753.50  520.10  831.14  734.08  683.32  533.18  858.38  795.29  850.33  943.20  743.58  398.96  285.88  345.75
sp     1ol     1wa     1ri     1opx    1opx    0opx    1cpx    1cpx    1il     1gt     1gt     1gt     1gt     1pv     1pv     1pv     1pv     1pv     1pv     1ppv    1mw     1mw     1cf     1nal    1
   -0.53    4.69   13.20    7.60   32.22   32.22   48.37   60.13   46.05   59.35   21.12   22.67   60.72   70.88  -11.40   34.98   25.00    7.40   20.12  -27.05  -10.96  -87.00  -60.22   60.83  -60.78
nacf    
    4.45
   -0.04    0.01   -0.07    0.11   -0.01   -0.00    0.12    0.01    0.20    0.00   -0.03   -0.01   -0.02   -0.08   -0.00    0.03   -0.04   -0.01    0.01    0.00    0.00    0.05    0.44    0.09    0.02    0.16   -0.07   -0.04   -0.03   -0.03   -0.02   -0.01    0.00   -0.01   -0.01   -0.61    0.07    0.04    0.07   -0.27    0.00    0.05   -0.18   -0.09    0.00    0.01   -0.01   -0.04    0.04    0.09
    0.00   -0.09    0.03   -0.10   -0.02   -0.24    0.01   -0.00    0.01    0.03   -0.00    0.36   -0.05   -0.25    0.00   -0.02    0.12    0.07    0.00    0.00    0.05   -0.00   -0.04    0.15    0.09   -0.06    0.00    0.01    0.07    0.01   -0.02    0.01   -0.00   -0.03   -0.01    0.04    0.01   -0.03   -0.02   -0.01   -0.13   -0.02    0.00    0.00   -0.00    0.03    0.00    0.01   -0.01   -0.01
   -0.08   -0.02    0.03    0.00    0.02   -0.03    0.04   -0.21    0.00    0.08    0.03    0.00    0.03   -0.04   -0.10   -0.01    0.02   -0.13   -0.01    0.02    0.03    0.03    0.08   -0.09    0.04    0.01   -0.09    0.07    0.00   -0.01    0.00    0.01
 Residual, number of data, parameters, iterations =   0.80718467309416198              656         132           0
 Back from invert
 Back from wphase
 Before lattab
 After lattab call
